Changeset 1568 for trunk/GSASIIspc.py
 Timestamp:
 Nov 11, 2014 4:52:30 PM (9 years ago)
 File:

 1 edited
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 Unmodified
 Added
 Removed

trunk/GSASIIspc.py
r1567 r1568 192 192 elif SGData['SGLaue'] == 'mmm': #orthorhombic 193 193 if SGData['SpGrp'].count('2') == 3: 194 return '222',[ 1,1,1]194 return '222',[1,1,1] 195 195 elif SGData['SpGrp'].count('2') == 1: 196 196 if SGData['SGPolax'] == 'x': 197 return '2mm',[ 1,1,1]197 return '2mm',[1,1,1] 198 198 elif SGData['SGPolax'] == 'y': 199 return 'm2m',[1, 1,1]199 return 'm2m',[1,1,1] 200 200 elif SGData['SGPolax'] == 'z': 201 return 'mm2',[1,1, 1]201 return 'mm2',[1,1,1] 202 202 else: 203 return 'mmm',[1,1, 1]203 return 'mmm',[1,1,1] 204 204 elif SGData['SGLaue'] == '4/m': #tetragonal 205 205 if '/' in SGData['SpGrp']: … … 497 497 return result 498 498 else: #orthorhombic 499 if SGData['SGPtGrp'] == '222': 500 return [1 if i in ['a','b','g'] else 1 for i in mod] 501 elif SGData['SGPtGrp'] == 'mm2': 502 if 'g' in mod: 503 return [1,1,1] 504 elif 'b' in mod: 505 return [1,1,1] 506 else: 507 return [1,1,1] 508 elif SGData['SGPtGrp'] == 'm2m': 509 if 'b' in mod: 510 return [1,1,1] 511 elif 'g' in mod: 512 return [1,1,1] 513 else: 514 return [1,1,1] 515 elif SGData['SGPtGrp'] == '2mm': 516 if 'a' in mod: 517 return [1,1,1] 518 elif 'b' in mod: 519 return [1,1,1] 520 else: 521 return [1,1,1] 522 else: 523 return [1 if i in ['a','b','g'] else 1 for i in mod] 499 return [SSGKl[i] if mod[i] in ['a','b','g'] else SSGKl[i] for i in range(3)] 524 500 525 501 def extendSSGOps(SSGOps): … … 560 536 SSGOps = SSGData['SSGOps'][:] 561 537 OrthOp = {'g':[1,2,3],'a':[3,1,2],'b':[2,3,1]} 538 OrFrac = {0:[1,3],1:[2,3],2:[1,2]} 562 539 iFrac = {} 563 540 for i,frac in enumerate(SSGData['modSymb']): … … 585 562 586 563 # orthorhombic 587 elif SGData['SGPtGrp'] in ['222','mm2','m2m','2mm','mmm']: 588 for a in ['a','b','g']: 589 if a in SSGData['modSymb']: 590 Gens = OrthOp[a] 591 for i in Gens[:1]: 592 for j in iFrac: 593 if i1 == j: 594 SSGOps[i][0][3,j] = 2.*eval(iFrac[j])*SSGKl[i1] 595 print i,j,SSMT2text(SSGOps[i]).replace(' ','') 564 elif SGData['SGPtGrp'] in ['222','mm2','m2m','2mm']: 565 for j in iFrac: 566 for i in OrFrac[j]: 567 SSGOps[i][0][3,j] = 2.*eval(iFrac[j])*SSGKl[j] 568 for i in [0,1,2]: 596 569 SSGOps[(i)%3+1][0][3,3] = SSGKl[(i)%3] #OK 597 570 SSGOps[(i)%3+1][1][3] = genQ[(i)%3] #OK … … 600 573 return E,SSGOps 601 574 elif SGData['SGPtGrp'] == 'mmm': 602 for i in [1,2,8]: 603 for j in iFrac: 604 if i1 != j: 605 SSGOps[i][0][3,j] = 2.*eval(iFrac[j])*SSGKl[i1] 606 for i in [0,1,7]: 607 SSGOps[(i+1)%3+1][0][3,3] = SSGKl[(i+1)%3] 575 for j in iFrac: 576 for i in OrFrac[j]: 577 SSGOps[i][0][3,j] = 2.*eval(iFrac[j]) 578 for i in [0,1,2]: 579 SSGOps[(i+1)%3+1][0][3,3] = 1 608 580 SSGOps[(i+1)%3+1][1][3] = genQ[(i+1)%3] 609 581 E,SSGOps = extendSSGOps(SSGOps) … … 778 750 elif SGData['SGPtGrp'] in ['4m2',] and sym not in ['','0s0','0q0']: 779 751 return False 780 elif SGData['SGPtGrp'] in ['42m',] and sym not in ['','0ss','00q' ]:752 elif SGData['SGPtGrp'] in ['42m',] and sym not in ['','0ss','00q',]: 781 753 return False 782 754 elif SGData['SGPtGrp'] in ['4/mmm',] and sym not in ['','s00s','s0s0','00ss','000s',]: … … 854 826 if not genQ: 855 827 genQ = [0,0,0,0] 856 SSGData = {'SSpGrp':SGData['SpGrp']+SSymbol,'modQ':modQ,'modSymb':modsym }828 SSGData = {'SSpGrp':SGData['SpGrp']+SSymbol,'modQ':modQ,'modSymb':modsym,'SSGKl':SSGKl} 857 829 SSCen = np.zeros((len(SGData['SGCen']),4)) 858 830 for icen,cen in enumerate(SGData['SGCen']): … … 927 899 SSGText.append(' The superlattice is '+CentStr+' '+'primitive '+SGData['SGSys'].lower()) 928 900 SSGText.append(' The Laue symmetry is '+SGData['SGLaue']) 929 SSGText.append(' The superlattice point group is '+SGData['SGPtGrp']+','+''.join([str(i) for i in S GData['SSGKl']]))901 SSGText.append(' The superlattice point group is '+SGData['SGPtGrp']+','+''.join([str(i) for i in SSGData['SSGKl']])) 930 902 SSGText.append(' The number of superspace group generators is '+str(len(SGData['SSGKl']))) 931 903 SSGText.append(' Multiplicity of a general site is '+str(Mult)) … … 1839 1811 ''' 1840 1812 ssdict = { 1813 #1,2 1841 1814 'P 1':['(abg)',],'P 1':['(abg)',], 1842 #monoclinic  done 1843 'P 2':['(a0g)','(a1/2g)','(0b0)','(0b0)s','(1/2b0)','(0b1/2)','(1/2b0)s','(0b1/2)s',], 1844 'P 21':['(a0g)','(0b0)','(0b0)s','(1/2b0)','(0b1/2)','(1/2b0)s','(0b1/2)s',], 1815 #monoclinic  done 1816 #3 1817 'P 2':['(a0g)','(a1/2g)','(0b0)','(0b0)s','(1/2b0)','(1/2b0)s','(0b1/2)','(0b1/2)s',], 1818 #4 1819 'P 21':['(a0g)','(0b0)','(0b0)s','(1/2b0)','(1/2b0)s','(0b1/2)','(0b1/2)s',], 1820 #5 1821 'C 2':['(a0g)','(0b0)','(0b0)s','(0b1/2)','(0b1/2)s',], 1822 #6 1845 1823 'P m':['(a0g)','(a0g)s','(a1/2g)','(a1/2g)s','(0b0)','(1/2b0)','(0b1/2)',], 1846 'P a':['(a0g)','(a1/2g)','(a0g)s','(a1/2g)s','(0b0)','(0b1/2)',], 1847 'P c':['(a0g)','(a1/2g)','(a0g)s','(a1/2g)s','(0b0)','(1/2b0)',], 1848 'P n':['(a0g)','(a1/2g)','(a0g)s','(a1/2g)s','(0b0)','(1/2b1/2)',], 1849 'P 2/m':['(a0g)','(a1/2g)','(a0g)0s','(a1/2g)0s', 1850 '(0b0)','(0b0)s0','(1/2b0)','(0b1/2)','(1/2b0)s0','(0b1/2)s0',], 1824 #7 1825 'P a':['(a0g)','(a0g)s','(a1/2g)','(a1/2g)s','(0b0)','(0b1/2)',], 1826 'P c':['(a0g)','(a0g)s','(a1/2g)','(a1/2g)s','(0b0)','(1/2b0)',], 1827 'P n':['(a0g)','(a0g)s','(a1/2g)','(a1/2g)s','(0b0)','(1/2b1/2)',], 1828 #8 1829 'C m':['(a0g)','(a0g)s','(0b0)','(0b1/2)',], 1830 #9 1831 'C c':['(a0g)','(a0g)s','(0b0)',], 1832 'C n':['(a0g)','(a0g)s','(0b0)',], 1833 #10 1834 'P 2/m':['(a0g)','(a0g)0s','(a1/2g)','(a1/2g)0s', 1835 '(0b0)','(0b0)s0','(1/2b0)','(1/2b0)s0','(0b1/2)','(0b1/2)s0',], 1836 #11 1851 1837 'P 21/m':['(a0g)','(a0g)0s','(0b0)','(0b0)s0', 1852 '(1/2b0)','(0b1/2)','(1/2b0)s0','(0b1/2)s0'], 1853 'P 2/c':['(a0g)','(a1/2g)','(a0g)0s','(a1/2g)0s', 1838 '(1/2b0)','(1/2b0)s0','(0b1/2)','(0b1/2)s0'], 1839 #12 1840 'C 2/m':['(a0g)','(a0g)0s','(0b0)','(0b0)s0','(0b1/2)','(0b1/2)s0',], 1841 #13 1842 'P 2/c':['(a0g)','(a0g)0s','(a1/2g)','(a1/2g)0s', 1854 1843 '(0b0)','(0b0)s0','(1/2b0)','(1/2b0)s0',], 1855 'P 2/a':['(a0g)','(a 1/2g)','(a0g)0s','(a1/2g)0s',1844 'P 2/a':['(a0g)','(a0g)0s','(a1/2g)','(a1/2g)0s', 1856 1845 '(0b0)','(0b0)s0','(0b1/2)','(0b1/2)s0',], 1857 'P 2/n':['(a0g)','(a 1/2g)','(a0g)0s','(a1/2g)0s',1846 'P 2/n':['(a0g)','(a0g)0s','(a1/2g)','(a1/2g)0s', 1858 1847 '(0b0)','(0b0)s0','(1/2b1/2)','(1/2b1/2)s0',], 1848 #14 1859 1849 'P 21/c':['(a0g)','(a0g)0s','(0b0)','(0b0)s0','(1/2b0)','(1/2b0)s0',], 1860 1850 'P 21/a':['(a0g)','(a0g)0s','(0b0)','(0b0)s0','(0b1/2)','(0b1/2)s0',], 1861 1851 'P 21/n':['(a0g)','(a0g)0s','(0b0)','(0b0)s0','(1/2b1/2)','(1/2b1/2)s0',], 1862 'C 2':['(a0g)','(0b0)','(0b0)s','(0b1/2)','(0b1/2)s',], 1863 'C m':['(a0g)','(a0g)s','(0b0)','(0b1/2)',], 1864 'C c':['(a0g)','(a0g)s','(0b0)',], 1865 'C n':['(a0g)','(a0g)s','(0b0)',], 1866 'C 2/m':['(a0g)','(a0g)0s','(0b0)','(0b0)s0','(0b1/2)','(0b1/2)s0',], 1852 #15 1867 1853 'C 2/c':['(a0g)','(a0g)0s','(0b0)','(0b0)s0',], 1868 1854 'C 2/n':['(a0g)','(a0g)0s','(0b0)','(0b0)s0',], 1869 #orthorhombic 1870 'P 2 2 2':['(00g)','(00g)00s','(01/2g)','(01/2g)00s','(1/20g)','(1/20g)00s','(1/21/2g)','(1/21/2g)00s', 1871 '(a00)','(a00)s00','(a01/2)','(a01/2)s00','(a1/20)','(a1/20)s00','(a1/21/2)','(a1/21/2)s00', 1872 '(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0','(1/2b0)','(1/2b0)0s0','(1/2b1/2)','(1/2b1/2)0s0',], 1873 1874 'P 2 2 21':['(00g)','(00g)00s','(01/2g)','(01/2g)00s','(1/20g)','(1/20g)00s','(1/21/2g)','(1/21/2g)00s', 1875 '(a00)','(a00)s00','(a1/20)','(a1/20)s00','(0b0)','(0b0)0s0','(1/2b0)','(1/2b0)0s0',], 1876 'P 2 21 2':['(a00)','(a00)s00','(a01/2)','(a01/2)s00','(a1/20)','(a1/20)s00','(a1/21/2)','(a1/21/2)s00', 1877 '(00g)','(00g)00s','(01/2g)','(01/2g)00s','(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0',], 1878 'P 21 2 2':['(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0','(1/2b0)','(1/2b0)0s0','(1/2b1/2)','(1/2a1/2)0s0', 1879 '(00g)','(00g)00s','(1/20g)','(1/20g)00s','(a00)','(a00)s00','(a01/2)','(a01/2)s00',], 1880 1881 'P 21 21 2':['(00g)','(00g)00s','(a00)','(a00)s00','(a01/2)','(a01/2)s00', 1882 '(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0',], 1883 'P 21 2 21':['(0b0)','(0b0)0s0','(00g)','(00g)00s','(01/2g)','(01/2g)00s', 1884 '(a00)','(a00)s00','(a1/20)','(a1/20)s00',], 1885 'P 2 21 21':['(a00)','(a00)s00','(00g)','(00g)00s','(1/20g)','(1/20g)00s', 1886 '(0b0)','(0b0)0s0','(1/2b0)','(1/2b0)0s0',], 1887 1888 'P 21 21 21':['(00g)','(00g)00s','(a00)','(a00)s00','(0b0)','(0b0)0s0',], 1889 1890 'C 2 2 21':['(00g)','(00g)00s','(10g)','(10g)00s','(01g)','(01g)00s','(a00)', 1891 '(a00)s00','(0b0)','(0b0)0s0',], 1892 'A 21 2 2':['(a00)','(a00)s00','(a10)','(a10)s00','(a01)','(a01)s00','(0b0)', 1893 '(0b0)0s0','(00g)','(00g)00s',], 1894 'B 2 21 2':['(0b0)','(0b0)0s0','(1b0)','(1b0)0s0','(0b1)','(0b1)0s0','(a00)', 1895 '(a00)s00','(00g)','(00g)00s',], 1896 1897 'C 2 2 2':['(00g)','(00g)00s','(10g)','(10g)00s','(a00)','(a00)s00','(a01/2)', 1898 '(a01/2)s00','(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0',], 1899 'A 2 2 2':['(a00)','(a00)s00','(a10)','(a10)s00','(0b0)','(0b0)0s0','(1/2b0)', 1900 '(1/2b0)0s0','(00g)','(00g)00s','(1/20g)','(1/20g)00s',], 1901 'B 2 2 2':['(0b0)','(0b0)0b0','(1b0)','(1b0)0s0','(a00)','(a00)s00','(a1/20)', 1902 '(a1/20)0s0','(00g)','(00g)00s','(01/2g)','(01/2g)00s',], 1903 1904 'F 2 2 2':['(00g)','(00g)00s','(10g)','(10g)00s','(01g)','(01g)00s','(a00)','(a00)s00', 1905 '(a10)','(a10)s00','(a01)','(a01)s00','(0b0)','(0b0)0s0','(1b0)','(1b0)0s0','(0b1)','(0b1)0s0',], 1906 1855 #orthorhombic 1856 #16 1857 'P 2 2 2':['(00g)','(00g)00s','(01/2g)','(1/20g)','(1/21/2g)', 1858 '(a00)','(a00)s00','(a01/2)','(a1/20)','(a1/21/2)', 1859 '(0b0)','(0b0)0s0','(1/2b0)','(0b1/2)','(1/2b1/2)',], 1860 #17 1861 'P 2 2 21':['(00g)','(01/2g)','(1/20g)','(1/21/2g)', 1862 '(a00)','(a00)s00','(a1/20)','(0b0)','(0b0)0s0','(1/2b0)',], 1863 'P 2 21 2':['(0b0)','(0b1/2)','(1/2b0)','(1/2b1/2)', 1864 '(00g)','(00g)00s','(1/20g)','(a00)','(a00)s00','(a1/20)',], 1865 'P 21 2 2':['(a00)','(a01/2)','(a1/20)','(a1/21/2)', 1866 '(0b0)','(0b0)0s0','(1/2b0)','(00g)','(00g)00s','(1/20g)',], 1867 #18 1868 'P 21 21 2':['(00g)','(00g)00s','(a00)','(a01/2)','(0b0)','(0b1/2)',], 1869 'P 21 2 21':['(0b0)','(0b0)0s0','(00g)','(01/2g)','(a00)','(a01/2)',], 1870 'P 2 21 21':['(a00)','(a00)s00','(0b0)','(0b1/2)','(00g)','(01/2g)',], 1871 #19 1872 'P 21 21 21':['(00g)','(a00)','(0b0)',], 1873 #20 1874 'C 2 2 21':['(00g)','(10g)','(01g)','(a00)','(a00)s00','(0b0)','(0b0)0s0',], 1875 'A 21 2 2':['(a00)','(a10)','(a01)','(0b0)','(0b0)0s0','(00g)','(00g)00s',], 1876 'B 2 21 2':['(0b0)','(1b0)','(0b1)','(00g)','(00g)00s','(a00)','(a00)s00',], 1877 #21 1878 'C 2 2 2':['(00g)','(00g)00s','(10g)','(10g)00s','(01g)','(01g)00s', 1879 '(a00)','(a00)s00','(a01/2)','(0b0)','(0b0)0s0','(0b1/2)',], 1880 'A 2 2 2':['(a00)','(a00)s00','(a10)','(a10)s00','(a01)','(a01)s00', 1881 '(0b0)','(0b0)0s0','(0b1/2)','(00g)','(00g)00s','(01/2g)',], 1882 'B 2 2 2':['(0b0)','(0b0)0s0','(1b0)','(1b0)0s0','(0b1)','(0b1)0s0', 1883 '(00g)','(00g)00s','(01/2g)','(a00)','(a00)s00','(a01/2)',], 1884 #22 1885 'F 2 2 2':['(00g)','(00g)00s','(10g)','(01g)', 1886 '(a00)','(a00)s00','(a10)','(a01)', 1887 '(0b0)','(0b0)0s0','(1b0)','(0b1)',], 1888 #23 1907 1889 'I 2 2 2':['(00g)','(00g)00s','(a00)','(a00)s00','(0b0)','(0b0)0s0',], 1908 1890 #24 1909 1891 'I 21 21 21':['(00g)','(00g)00s','(a00','(a00)s00','(0b0)','(0b0)0s0',], 1910 1911 'P m m 2':['(a00)','(0b0)','(00g)', 1912 '(a00)s00','(0b0)0s0','(00g)s0s','(00g)ss0','(00g)0ss', 1913 '(a1/20)','(a01/2)','(0b1/2)','(1/2b0)','(01/2g)','(1/20g)', 1914 '(a1/21/2)','(1/2b1/2)','(1/21/2g)',], 1915 'P m 2 m':[], 1916 'P 2 m m':[], 1917 1918 'P m c 21':[], 1919 'P c m 21':[], 1920 'P 21 m a':[], 1921 'P 21 a m':[], 1922 'P b 21 m':[], 1923 'P m 21 b':[], 1924 1892 #25 1893 'P m m 2':['(00g)','(00g)s0s','(00g)0ss','(00g)ss0', 1894 '(01/2g)','(01/2g)s0s','(1/20g)','(1/20g)0ss','(1/21/2g)', 1895 '(a00)','(a00)0s0','(a1/20)','(a01/2)','(a01/2)0s0','(a1/21/2)', 1896 '(0b0)','(0b0)s00','(0b1/2)','(0b1/2)s00','(1/2b0)','(1/2b1/2)',], 1897 'P m 2 m':['(0b0)','(0b0)ss0','(0b0)0ss','(0b0)s0s', 1898 '(0b1/2)','(0b1/2)ss0','(1/2b0)','(1/2b0)0ss','(1/2b1/2)', 1899 '(00g)','(00g)s00','(1/20g)','(01/2g)','(01/2g)s00','(1/21/2g)', 1900 '(a00)','(a00)0s0','(a01/2)','(a01/2)0s0','(a1/20)','(a1/21/2)',], 1901 'P 2 m m':['(a00)','(a00)ss0','(a00)s0s','(a00)0ss', 1902 '(a01/2)','(a01/2)ss0','(a1/20)','(a1/20)s0s','(a1/21/2)', 1903 '(0b0)','(0b0)00s','(1/2b0)','(0b1/2)','(0b1/2)00s','(1/2b1/2)', 1904 '(00g)','(00g)0s0','(01/2g)','(01/2g)0s0','(1/20g)','(1/21/2g)',], 1905 #26 1906 'P m c 21':['(00g)','(00g)s0s','(01/2g)','(01/2g)s0s','(1/20g)','(1/21/2g)', 1907 '(a00)','(a00)0s0','(a1/20)','(0b0)','(0b0)s00','(0b1/2)',], 1908 'P c m 21':['(00g)','(00g)0ss','(1/20g)','(1/20g)0ss','(01/2g)','(1/21/2g)', 1909 '(0b0)','(0a0)s00','(1/2b0)','(a00)','(a00)0s0','(a01/2)',], 1910 'P 21 m a':['(a00)','(a00)ss0','(a01/2)','(a01/2)ss0','(a1/20)','(a1/21/2)', 1911 '(0b0)','(0b0)00s','(1/2b0)','(00g)','(00g)0s0','(01/2g)',], 1912 'P 21 a m':['(0b0)','(0b0)ss0','(0b1/2)','(0b1/2)ss0','(1/2b0)','(1/2b1/2)', 1913 '(a00)','(a00)00s','(a1/20)','(00g)','(00g)s00','(1/20g)',], 1914 'P b 21 m':['(0b0)','(0b0)ss0','(0b1/2)','(0b1/2)ss0','(1/2b0)','(1/2b1/2)', 1915 '(00g)','(00g)s00','(1/20g)','(a00)','(a00)0s0','(a01/2)',], 1916 'P m 21 b':['(a00)','(a00)ss0','(a01/2)','(a01/2)ss0','(a1/20)','(a1/21/2)', 1917 '(00g)','(00g)0s0','(01/2g)','(0b0)','(0b0)s00','(0b1/2)',], 1918 #27 1925 1919 'P c c 2':[], 1926 1920 'P 2 a a':[], 1927 1921 'P b 2 b':[], 1928 1922 #28 1929 1923 'P m a 2':[], 1930 1924 'P b m 2':[], … … 1933 1927 'P c 2 m':[], 1934 1928 'P m 2 a':[], 1935 1929 #29 1936 1930 'P c a 21':[], 1937 1931 'P b c 21':[], … … 1940 1934 'P c 21 b':[], 1941 1935 'P b 21 a':[], 1942 1936 #30 1937 'P c n 2':[], 1943 1938 'P n c 2':[], 1944 'P c n 2':[],1939 'P 2 a n':[], 1945 1940 'P 2 n a':[], 1946 'P 2 a n':[],1941 'P n 2 b':[], 1947 1942 'P b 2 n':[], 1948 'P n 2 b':[], 1949 1943 #31 1950 1944 'P m n 21':[], 1951 1945 'P n m 21':[], … … 1954 1948 'P n 21 m':[], 1955 1949 'P m 21 n':[], 1956 1950 #32 1957 1951 'P b a 2':[], 1958 1952 'P 2 c b':[], 1959 1953 'P c 2 a':[], 1960 1954 #33 1955 'P b n 21':[], 1961 1956 'P n a 21':[], 1962 'P b n 21':[],1957 'P 21 c n':[], 1963 1958 'P 21 n b':[], 1964 'P 21 c n':[],1959 'P n 21 a':[], 1965 1960 'P c 21 n':[], 1966 'P n 21 a':[], 1967 1961 #34 1968 1962 'P n n 2':[], 1969 1963 'P 2 n n':[], 1970 1964 'P n 2 n':[], 1971 1972 'P m m m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(01/2g)','(01/2g)s00','(01/2g)0s0','(01/2g)ss0', 1973 '(1/20g)','(1/20g)s00','(1/20g)0s0','(1/20g)ss0','(1/21/2g)','(1/21/2g)s00','(1/21/2g)0s0','(1/21/2g)ss0', 1974 '(a00)','(a00)0s0','(a00)00s','(a00)0ss','(a01/2)','(a01/2)0s0','(a01/2)00s','(a01/2)0ss', 1975 '(a1/20)','(a1/20)0s0','(a1/20)00s','(a1/20)0ss','(a1/21/2)','(a1/21/2)0s0','(a1/21/2)00s','(a1/21/2)0ss', 1976 '(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s','(0b1/2)','(0b1/2)s00','(0b1/2)00s','(0g1/2)s0s', 1977 '(1/2b0)','(1/2b0)s00','(1/2b0)00s','(1/2b0)s0s','(1/2b1/2)','(1/2b1/2)s00','(1/2b1/2)00s','(1/2b1/2)s0s',], 1978 1979 'P n n n':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0','(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s', 1980 '(1/21/2g)','(1/21/2g)00s','(a1/21/2)','(a1/21/2)s00','(1/2b1/2)','(1/2b1/2)0s0',], 1981 1982 'P c c m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(01/2g)','(01/2g)s00','(01/2g)0s0','(01/2g)ss0', 1983 '(1/20g)','(1/20g)s00','(1/20g)0s0','(1/20g)ss0','(1/21/2g)','(1/21/2g)s00','(1/21/2g)0s0','(1/21/2g)ss0', 1984 '(a00)','(a00)0s0','(a00)00s','(a00)0ss','(a1/20)','(a1/20)0s0','(a1/20)00s','(a1/20)0ss', 1985 '(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s','(1/2b0)','(1/2b0)s00','(1/2b0)00s','(1/2b0)s0s',], 1986 'P m a a':[], 1987 'P b m b':[], 1988 1965 #35 1966 'C m m 2':[], 1967 #36 1968 'C m c 21':[], 1969 #37 1970 'C c c 2':[], 1971 #38 1972 'C 2 m m':[], 1973 'C m 2 m':[], 1974 #39 1975 'C 2 m b':[], 1976 'C m 2 a':[], 1977 #40 1978 'C 2 c m':[], 1979 'C c 2 m':[], 1980 #41 1981 'C 2 c b':[], 1982 1983 #42 1984 'F m m 2':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(a00)','(a00)0s0', 1985 '(0b0)','(0b0)s00','(10g)','(10g)ss0','(10g)0ss','(10g)s0s','(a01)','(a01)0s0', 1986 '(1b0)','(1b0)s00','(01g)','(01g)ss0','(01g)0ss','(01g)s0s','(a10)','(a10)0s0', 1987 '(0b1)','(0b1)s00',], 1988 'F m 2 m':['(0b0)','(0b0)ss0','(0b0)0ss','(0b0)s0s','(a00)','(a00)00s', 1989 '(00g)','(00g)s00','(1b0)','(1b0)ss0','(1b0)0ss','(1b0)s0s','(a01)','(a01)00s', 1990 '(01g)','(01g)s00','(0b1)','(0b1)ss0','(0b1)0ss','(0b1)s0s','(a10)','(a10)00s', 1991 '(10g)','(10g)s00',], 1992 'F 2 m m':['(a00)','(a00)ss0','(a00)0ss','(a00)s0s','(0b0)','(0b0)00s', 1993 '(00g)','(00g)0s0','(a10)','(a10)ss0','(a10)0ss','(a10)s0s','(0b1)','(0b1)00s', 1994 '(10g)','(10g)0s0','(a01)','(a01)ss0','(a01)0ss','(a01)s0s','(1b0)','(1b0)00s', 1995 '(01g)','(01g)0s0',], 1996 #43 1997 'F d d 2':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(a00)','(a00)0s0', 1998 '(0b0)','(0b0)s00',], 1999 'F d 2 d':['(0b0)','(0b0)ss0','(0b0)0ss','(0b0)s0s','(a00)','(a00)00s', 2000 '(00g)','(00g)s00',], 2001 'F 2 d d':['(a00)','(a00)ss0','(a00)0ss','(a00)s0s','(0b0)','(0b0)00s', 2002 '(00g)','(00g)0s0',], 2003 #44 2004 'I m m 2':[], 2005 'I m 2 m':[], 2006 'I 2 m m':[], 2007 #45 2008 'I b a 2':[], 2009 'I 2 c b':[], 2010 'I c 2 a':[], 2011 #46 2012 'I m a 2':[], 2013 'I b m 2':[], 2014 'I 2 m b':[], 2015 'I 2 c m':[], 2016 'I c 2 m':[], 2017 'I m 2 a':[], 2018 #47 2019 'P m m m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(01/2g)','(01/2g)s00','(1/20g)','(1/20g)s00','(1/21/2g)', 2020 '(a00)','(a00)0s0','(a00)00s','(a00)0ss','(a01/2)','(a01/2)0s0','(a1/20)','(a1/20)00s','(a1/21/2)', 2021 '(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s','(1/2b0)','(1/2b0)00s','(0b1/2)','(0b1/2)s00','(1/2b1/2)',], 2022 #48 2023 'P n n n':['(00g)','(00g)s00','(00g)0s0','(1/21/2g)qq0', 2024 '(a00)','(a00)0s0','(a00)00s','(a1/21/2)0qq', 2025 '(0b0)','(0b0)s00','(0b0)00s','(1/2b1/2)q0q',], 2026 #49 2027 'P c c m':['(00g)','(00g)s00','(00g)0s0','(01/2g)','(1/20g)','(1/21/2g)', 2028 '(a00)','(a00)0s0','(a00)00s','(a00)0ss','(a1/20)','(a1/20)00s', 2029 '(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s','(1/2b0)','(1/2b0)00s',], 2030 'P m a a':['(a00)','(a00)0s0','(a00)00s','(a01/2)','(a1/20)','(a1/21/2)', 2031 '(0b0)','(0b0)00s','(0b0)s00','(0b0)s0s','(0b1/2)','(0b1/2)s00', 2032 '(00g)','(00g)0s0','(00g)s00','(00g)ss0','(01/2g)','(01/2g)s00',], 2033 'P b m b':['(0b0)','(0b0)00s','(0b0)s00','(0b1/2)','(1/2b0)','(1/2b1/2)', 2034 '(00g)','(00g)s00','(00g)0s0','(00g)ss0','(1/20g)','(1/20g)0s0', 2035 '(a00)','(a00)00s','(a00)0s0','(a00)0ss','(a01/2)','(a01/2)0s0',], 2036 #50 1989 2037 'P b a n':[], 1990 2038 'P n c b':[], 1991 2039 'P c n a':[], 1992 2040 #51 1993 2041 'P m m a':[], 1994 2042 'P m m b':[], … … 2076 2124 'P n a m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2077 2125 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], 2078 2079 'C m m 2':[], 2080 'C m c 21':[], 2081 'C c c 2':[], 2082 2083 'C m 2 m':[], 2084 'C 2 m m':[], 2085 2086 'C m 2 a':[], 2087 'C 2 m b':[], 2088 2089 'C 2 c m':[], 2090 'C c 2 m':[], 2091 'C 2 c m':[], 2092 2126 2093 2127 'C m c a':[], 2094 2128 'C m m m':[], … … 2097 2131 'C c c a':[], 2098 2132 'C m c m':[], 2099 'I m m m':[], 2100 2101 'I m m 2':[], 2102 'I m 2 m':[], 2103 'I 2 m m':[], 2104 2105 'I b a 2':[], 2106 'I 2 c b':[], 2107 'I c 2 a':[], 2108 2109 'I m a 2':[], 2110 'I b m 2':[], 2111 'I 2 m b':[], 2112 2113 'I 2 c m':[], 2114 'I c 2 m':[], 2115 'I m 2 a':[], 2116 2133 #69 2134 'F m m m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2135 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s', 2136 '(10g)','(10g)s00','(10g)0s0','(10g)ss0','(a10)','(a10)0s0', 2137 '(a10)00s','(a10)0ss','(0b1)','(0b1)s00','(0b1)00s','(0b1)s0s', 2138 '(01g)','(01g)s00','(01g)0s0','(01g)ss0','(a01)','(a01)0s0', 2139 '(a01)00s','(a01)0ss','(1b0)','(1b0)s00','(1b0)00s','(1b0)s0s'], 2140 #70 2141 'F d d d':['(00g)','(00g)s00','(00g)0s0','(a00)','(a00)0s0', 2142 '(a00)00s','(0b0)','(0b0)s00','(0b0)00s',], 2143 2144 #71 2145 'I m m m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2146 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s',], 2147 #72 2117 2148 'I b a m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2118 2149 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], 2119 'I m c b':['( 00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',2120 '( a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],2121 'I c m a':['(0 0g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',2122 '( a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'],2123 2150 'I m c b':['(a00)','(a00)0s0','(a00)00s','(a00)0ss','(0b0)','(0b0)00s', 2151 '(0b0)s00','(0b0)s0s','(00g)','(00g)0s0','(00g)s00','(00g)ss0'], 2152 'I c m a':['(0b0)','(0b0)00s','(0b0)s00','(0b0)s0s','(00g)','(00g)s00', 2153 '(00g)0s0','(00g)ss0','(a00)','(a00)00s','(a00)0s0','(a00)0ss'], 2154 #73 2124 2155 'I b c a':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2125 2156 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], 2126 2157 'I c a b':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2127 2158 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], 2128 2159 #74 2129 2160 'I m m a':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2130 2161 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], … … 2139 2170 'I m a m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2140 2171 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], 2141 2142 'F m m m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2143 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s', 2144 '(10g)','(10g)s00','(10g)0s0','(10g)ss0','(a10)','(a10)0s0', 2145 '(a10)00s','(a10)0ss','(0b1)','(0b1)s00','(0b1)00s','(0b1)s0s', 2146 '(01g)','(01g)s00','(01g)0s0','(01g)ss0','(a01)','(a01)0s0', 2147 '(a01)00s','(a01)0ss','(1b0)','(1b0)s00','(1b0)00s','(1b0)s0s'], 2148 2149 'F d d d':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2150 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], 2151 2152 'F m m 2':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(a00)','(a00)0s0', 2153 '(0b0)','(0b0)s00','(10g)','(10g)ss0','(10g)0ss','(10g)s0s','(a01)','(a01)0s0', 2154 '(1b0)','(1b0)s00','(01g)','(01g)ss0','(01g)0ss','(01g)s0s','(a10)','(a10)0s0', 2155 '(0b1)','(0b1)s00',], 2156 2157 'F m 2 m':['(0b0)','(0b0)ss0','(0b0)0ss','(0b0)s0s','(a00)','(a00)00s', 2158 '(00g)','(00g)s00','(1b0)','(1b0)ss0','(1b0)0ss','(1b0)s0s','(a01)','(a01)00s', 2159 '(01g)','(01g)s00','(0b1)','(0b1)ss0','(0b1)0ss','(0b1)s0s','(a10)','(a10)00s', 2160 '(10g)','(10g)s00',], 2161 2162 'F 2 m m':['(a00)','(a00)ss0','(a00)0ss','(a00)s0s','(0b0)','(0b0)00s', 2163 '(00g)','(00g)0s0','(a10)','(a10)ss0','(a10)0ss','(a10)s0s','(0b1)','(0b1)00s', 2164 '(10g)','(10g)0s0','(a01)','(a01)ss0','(a01)0ss','(a01)s0s','(1b0)','(1b0)00s', 2165 '(01g)','(01g)0s0',], 2166 2167 'F d d 2':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(a00)','(a00)0s0', 2168 '(0b0)','(0b0)s00',], 2169 'F d 2 d':['(0b0)','(0b0)ss0','(0b0)0ss','(0b0)s0s','(a00)','(a00)00s', 2170 '(00g)','(00g)s00',], 2171 'F 2 d d':['(a00)','(a00)ss0','(a00)0ss','(a00)s0s','(0b0)','(0b0)00s', 2172 '(00g)','(00g)0s0',], 2173 #tetragonal  done 2172 #tetragonal  done 2173 #75 2174 2174 'P 4':['(00g)','(00g)q','(00g)s','(1/21/2g)','(1/21/2g)q',], 2175 'P 41':['(00g)','(00g)q','(00g)s','(1/21/2g)','(1/21/2g)q',], 2176 'P 42':['(00g)','(00g)q','(00g)s','(1/21/2g)','(1/21/2g)q',], 2177 'P 43':['(00g)','(00g)q','(00g)s','(1/21/2g)','(1/21/2g)q',], 2175 #76 2176 'P 41':['(00g)','(1/21/2g)',], 2177 #77 2178 'P 42':['(00g)','(00g)q','(1/21/2g)','(1/21/2g)q',], 2179 #78 2180 'P 43':['(00g)','(1/21/2g)',], 2181 #79 2182 'I 4':['(00g)','(00g)q','(00g)s',], 2183 #80 2184 'I 41':['(00g)','(00g)q',], 2185 #81 2178 2186 'P 4':['(00g)','(1/21/2g)',], 2179 'P 4/m':['(00g)','(00g)s0','(1/21/2g)','(1/21/2g)s0',], 2180 'P 42/m':['(00g)','(00g)s0','(1/21/2g)','(1/21/2g)s0',], 2181 'P 4/n':['(00g)','(00g)s0','(1/21/2g)',], 2182 'P 42/n':['(00g)','(00g)s0','(1/21/2g)',], 2183 'P 4 2 2':['(00g)','(00g)q00','(00g)s00','(1/21/2g)','(1/21/2g)q00','(1/21/2g)s00',], 2187 #82 2188 'I 4':['(00g)',], 2189 #83 2190 'P 4/m':['(00g)','(00g)s0','(1/21/2g)',], 2191 #84 2192 'P 42/m':['(00g)','(1/21/2g)',], 2193 #85 2194 'P 4/n':['(00g)','(00g)s0','(1/21/2g)',], #q0? 2195 #86 2196 'P 42/n':['(00g)','(1/21/2g)',], #q0? 2197 #87 2198 'I 4/m':['(00g)','(00g)s0',], 2199 #88 2200 'I 41/a':['(00g)',], 2201 #89 2202 'P 4 2 2':['(00g)','(00g)q00','(00g)s00','(1/21/2g)','(1/21/2g)q00',], 2203 #90 2184 2204 'P 4 21 2':['(00g)','(00g)q00','(00g)s00',], 2185 'P 41 2 2':['(00g)','(00g)q00','(00g)s00','(1/21/2g)','(1/21/2g)q00','(1/21/2g)s00',], 2186 'P 41 21 2':['(00g)','(00g)q00','(00g)s00',], 2187 'P 42 2 2':['(00g)','(00g)q00','(00g)s00','(1/21/2g)','(1/21/2g)q00','(1/21/2g)s00',], 2188 'P 42 21 2':['(00g)','(00g)q00','(00g)s00',], 2189 'P 43 2 2':['(00g)','(00g)q00','(00g)s00','(1/21/2g)','(1/21/2g)q00','(1/21/2g)s00',], 2190 'P 43 21 2':['(00g)','(00g)q00','(00g)s00',], 2191 'P 4 m m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s', 2192 '(1/21/2g)','(1/21/2g)ss0','(1/21/2g)0ss','(1/21/2g)s0s',], 2205 #91 2206 'P 41 2 2':['(00g)','(1/21/2g)',], 2207 #92 2208 'P 41 21 2':['(00g)',], 2209 #93 2210 'P 42 2 2':['(00g)','(00g)q00','(1/21/2g)','(1/21/2g)q00',], 2211 #94 2212 'P 42 21 2':['(00g)','(00g)q00',], 2213 #95 2214 'P 43 2 2':['(00g)','(1/21/2g)',], 2215 #96 2216 'P 43 21 2':['(00g)',], 2217 #97 2218 'I 4 2 2':['(00g)','(00g)q00','(00g)s00',], 2219 #98 2220 'I 41 2 2':['(00g)','(00g)q00',], 2221 #99 2222 'P 4 m m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g)0ss'], 2223 #100 2193 2224 'P 4 b m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)qq0','(1/21/2g)qqs',], 2194 'P 42 c m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s', 2195 '(1/21/2g)','(1/21/2g)ss0','(1/21/2g)0ss','(1/21/2g)s0s',], 2196 'P 42 n m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)qq0','(1/21/2g)qqs',], 2197 'P 4 c c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s', 2198 '(1/21/2g)','(1/21/2g)ss0','(1/21/2g)0ss','(1/21/2g)s0s',], 2199 'P 4 n c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)qq0',], 2200 'P 42 m c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s', 2201 '(1/21/2g)','(1/21/2g)ss0','(1/21/2g)0ss','(1/21/2g)s0s',], 2202 'P 42 b c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)qq0',], 2225 #101 2226 'P 42 c m':['(00g)','(00g)0ss','(1/21/2g)','(1/21/2g)0ss',], 2227 #102 2228 'P 42 n m':['(00g)','(00g)0ss','(1/21/2g)qq0','(1/21/2g)qqs',], 2229 #103 2230 'P 4 c c':['(00g)','(00g)ss0','(1/21/2g)',], 2231 #104 2232 'P 4 n c':['(00g)','(00g)ss0','(1/21/2g)qq0',], 2233 #105 2234 'P 42 m c':['(00g)','(00g)ss0','(1/21/2g)',], 2235 #106 2236 'P 42 b c':['(00g)','(00g)ss0','(1/21/2g)qq0',], 2237 #107 2238 'I 4 m m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2239 #108 2240 'I 4 c m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2241 #109 2242 'I 41 m d':['(00g)','(00g)ss0',], 2243 #110 2244 'I 41 c d':['(00g)','(00g)ss0',], 2245 #111 2203 2246 'P 4 2 m':['(00g)','(00g)0ss','(1/21/2g)','(1/21/2g)0ss',], 2204 'P 4 2 c':['(00g)','(00g)0ss','(1/21/2g)','(1/21/2g)0ss',], 2247 #112 2248 'P 4 2 c':['(00g)','(1/21/2g)',], 2249 #113 2205 2250 'P 4 21 m':['(00g)','(00g)0ss',], 2206 'P 4 21 c':['(00g)','(00g)0ss',], 2207 'P 4 m 2':['(00g)','(00g)0s0','(1/21/2g)','(1/21/2g)0s0',], 2208 'P 4 c 2':['(00g)','(00g)0s0','(1/21/2g)','(1/21/2g)0s0',], 2251 #114 2252 'P 4 21 c':['(00g)',], 2253 #115 2254 'P 4 m 2':['(00g)','(00g)0s0','(1/21/2g)',], 2255 #116 2256 'P 4 c 2':['(00g)','(1/21/2g)',], 2257 #117 2209 2258 'P 4 b 2':['(00g)','(00g)0s0','(1/21/2g)0q0',], 2210 'P 4 n 2':['(00g)','(00g)0s0','(1/21/2g)0q0',], 2259 #118 2260 'P 4 n 2':['(00g)','(1/21/2g)0q0',], 2261 #119 2262 'I 4 m 2':['(00g)','(00g)0s0',], 2263 #120 2264 'I 4 c 2':['(00g)','(00g)0s0',], 2265 #121 2266 'I 4 2 m':['(00g)','(00g)0ss',], 2267 #122 2268 'I 4 2 d':['(00g)',], 2269 #123 2211 2270 'P 4/m m m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2212 2271 '(1/21/2g)','(1/21/2g)s0s0','(1/21/2g)00ss','(1/21/2g)s00s',], 2213 'P 4/m c c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2214 '(1/21/2g)','(1/21/2g)s0s0','(1/21/2g)00ss','(1/21/2g)s00s',], 2272 #124 2273 'P 4/m c c':['(00g)','(00g)s0s0','(1/21/2g)',], 2274 #125 2215 2275 'P 4/n b m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s','(1/21/2g)','(1/21/2g)00ss',], 2216 'P 4/n n c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s','(1/21/2g)',], 2276 #126 2277 'P 4/n n c':['(00g)','(00g)s0s0','(1/21/2g)',], 2278 #127 2217 2279 'P 4/m b m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2218 'P 4/m n c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2280 #128 2281 'P 4/m n c':['(00g)','(00g)s0s0',], 2282 #129 2219 2283 'P 4/n m m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2220 'P 4/n c c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2221 'P 42/m m c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2222 '(1/21/2g)','(1/21/2g)s0s0','(1/21/2g)00ss','(1/21/2g)s00s',], 2223 'P 42/m c m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2224 '(1/21/2g)','(1/21/2g)s0s0','(1/21/2g)00ss','(1/21/2g)s00s',], 2225 'P 42/n b c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s','(1/21/2g)',], 2226 'P 42/n n m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s','(1/21/2g)','(1/21/2g)000s',], 2227 'P 42/m b c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2228 'P 42/m n m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2229 'P 42/n m c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2230 'P 42/n c m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2231 'I 4':['(00g)','(00g)q','(00g)s',], 2232 'I 41':['(00g)','(00g)q','(00g)s',], 2233 'I 4':['(00g)',], 2234 'I 4/m':['(00g)','(00g)s0',], 2235 'I 41/a':['(00g)','(00g)s0',], #s0? 2236 'I 4 2 2':['(00g)','(00g)q00','(00g)s00',], 2237 'I 41 2 2':['(00g)','(00g)q00','(00g)s00',], 2238 'I 4 m m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2239 'I 4 c m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2240 'I 41 m d':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2241 'I 41 c d':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2242 'I 4 m 2':['(00g)','(00g)0s0',], 2243 'I 4 c 2':['(00g)','(00g)0s0',], 2244 'I 4 2 m':['(00g)','(00g)0ss',], 2245 'I 4 2 d':['(00g)','(00g)0ss',], 2284 #130 2285 'P 4/n c c':['(00g)','(00g)s0s0',], 2286 #131 2287 'P 42/m m c':['(00g)','(00g)s0s0','(1/21/2g)',], 2288 #132 2289 'P 42/m c m':['(00g)','(00g)00ss','(1/21/2g)','(1/21/2g)00ss',], 2290 #133 2291 'P 42/n b c':['(00g)','(00g)s0s0','(1/21/2g)',], 2292 #134 2293 'P 42/n n m':['(00g)','(00g)00ss','(1/21/2g)','(1/21/2g)00ss',], 2294 #135 2295 'P 42/m b c':['(00g)','(00g)s0s0',], 2296 #136 2297 'P 42/m n m':['(00g)','(00g)00ss',], 2298 #137 2299 'P 42/n m c':['(00g)','(00g)s0s0',], 2300 #138 2301 'P 42/n c m':['(00g)','(00g)00ss',], 2302 #139 2246 2303 'I 4/m m m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2304 #140 2247 2305 'I 4/m c m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2248 'I 41/a m d':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2249 'I 41/a c d':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2306 #141 2307 'I 41/a m d':['(00g)','(00g)s0s0',], 2308 #142 2309 'I 41/a c d':['(00g)','(00g)s0s0',], 2250 2310 #trigonal/rhombahedral  done & checked 2311 #143 2312 'P 3':['(00g)','(00g)t','(1/31/3g)',], 2313 #144 2314 'P 31':['(00g)','(1/31/3g)',], 2315 #145 2316 'P 32':['(00g)','(1/31/3g)',], 2317 #146 2251 2318 'R 3':['(00g)','(00g)t',], 2319 #147 2320 'P 3':['(00g)','(1/31/3g)',], 2321 #148 2252 2322 'R 3':['(00g)',], 2323 #149 2324 'P 3 1 2':['(00g)','(00g)t00','(1/31/3g)',], 2325 #150 2326 'P 3 2 1':['(00g)','(00g)t00',], 2327 #151 2328 'P 31 1 2':['(00g)','(1/31/3g)',], 2329 #152 2330 'P 31 2 1':['(00g)',], 2331 #153 2332 'P 32 1 2':['(00g)','(1/31/3g)',], 2333 #154 2334 'P 32 2 1':['(00g)',], 2335 #155 2253 2336 'R 3 2':['(00g)','(00g)t0',], 2337 #156 2338 'P 3 m 1':['(00g)','(00g)0s0',], 2339 #157 2340 'P 3 1 m':['(00g)','(00g)00s','(1/31/3g)','(1/31/3g)00s',], 2341 #158 2342 'P 3 c 1':['(00g)',], 2343 #159 2344 'P 3 1 c':['(00g)','(1/31/3g)',], 2345 #160 2254 2346 'R 3 m':['(00g)','(00g)0s',], 2255 'R 3 c':['(00g)','(00g)0s',], #not 0s0 2347 #161 2348 'R 3 c':['(00g)',], 2349 #162 2350 'P 3 1 m':['(00g)','(00g)00s','(1/31/3g)','(1/31/3g)00s',], 2351 #163 2352 'P 3 1 c':['(00g)','(1/31/3g)',], 2353 #164 2354 'P 3 m 1':['(00g)','(00g)0s0',], 2355 #165 2356 'P 3 c 1':['(00g)',], 2357 #166 2256 2358 'R 3 m':['(00g)','(00g)0s',], 2257 'R 3 c':['(00g)','(00g)0s',], #not 0s0 2258 'P 3':['(00g)','(00g)t','(1/31/3g)','(1/31/3g)t',], 2259 'P 31':['(00g)','(00g)t','(1/31/3g)','(1/31/3g)t',], 2260 'P 32':['(00g)','(00g)t','(1/31/3g)','(1/31/3g)t',], 2261 'P 3':['(00g)','(1/31/3g)',], 2262 'P 3 1 2':['(00g)','(00g)t00','(1/31/3g)','(1/31/3g)t00',], 2263 'P 3 2 1':['(00g)','(00g)t00',], 2264 'P 31 1 2':['(00g)','(00g)t00','(1/31/3g)','(1/31/3g)t00',], 2265 'P 31 2 1':['(00g)','(00g)t00',], 2266 'P 32 1 2':['(00g)','(00g)t00','(1/31/3g)','(1/31/3g)t00',], 2267 'P 32 2 1':['(00g)','(00g)t00',], 2268 'P 3 m 1':['(00g)','(00g)0s0',], 2269 'P 3 1 m':['(00g)','(00g)00s','(1/31/3g)','(1/31/3g)00s',], 2270 'P 3 c 1':['(00g)','(00g)0s0',], 2271 'P 3 1 c':['(00g)','(00g)00s','(1/31/3g)','(1/31/3g)00s',], 2272 'P 3 1 m':['(00g)','(00g)00s','(1/31/3g)','(1/31/3g)00s',], 2273 'P 3 1 c':['(00g)','(00g)00s','(1/31/3g)','(1/31/3g)00s',], 2274 'P 3 m 1':['(00g)','(00g)0s0',], 2275 'P 3 c 1':['(00g)','(00g)0s0',], 2359 #167 2360 'R 3 c':['(00g)',], 2276 2361 #hexagonal  done & checked 2362 #168 2277 2363 'P 6':['(00g)','(00g)h','(00g)t','(00g)s',], 2278 'P 61':['(00g)','(00g)h','(00g)t','(00g)s',], 2279 'P 65':['(00g)','(00g)h','(00g)t','(00g)s',], 2280 'P 62':['(00g)','(00g)h','(00g)t','(00g)s',], 2281 'P 64':['(00g)','(00g)h','(00g)t','(00g)s',], 2282 'P 63':['(00g)','(00g)h','(00g)t','(00g)s',], 2364 #169 2365 'P 61':['(00g)',], 2366 #170 2367 'P 65':['(00g)',], 2368 #171 2369 'P 62':['(00g)','(00g)h',], 2370 #172 2371 'P 64':['(00g)','(00g)h',], 2372 #173 2373 'P 63':['(00g)','(00g)h',], 2374 #174 2283 2375 'P 6':['(00g)',], 2376 #175 2284 2377 'P 6/m':['(00g)','(00g)s0',], 2285 'P 63/m':['(00g)','(00g)s0'], 2378 #176 2379 'P 63/m':['(00g)',], 2380 #177 2286 2381 'P 6 2 2':['(00g)','(00g)h00','(00g)t00','(00g)s00',], 2287 'P 61 2 2':['(00g)','(00g)h00','(00g)t00','(00g)s00',], 2288 'P 65 2 2':['(00g)','(00g)h00','(00g)t00','(00g)s00',], 2289 'P 62 2 2':['(00g)','(00g)h00','(00g)t00','(00g)s00',], 2290 'P 64 2 2':['(00g)','(00g)h00','(00g)t00','(00g)s00',], 2291 'P 63 2 2':['(00g)','(00g)h00','(00g)t00','(00g)s00',], 2382 #178 2383 'P 61 2 2':['(00g)',], 2384 #179 2385 'P 65 2 2':['(00g)',], 2386 #180 2387 'P 62 2 2':['(00g)','(00g)h00',], 2388 #181 2389 'P 64 2 2':['(00g)','(00g)h00',], 2390 #182 2391 'P 63 2 2':['(00g)','(00g)h00',], 2392 #183 2292 2393 'P 6 m m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2293 'P 6 c c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2294 'P 63 c m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2295 'P 63 m c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s',], 2394 #184 2395 'P 6 c c':['(00g)','(00g)s0s',], 2396 #185 2397 'P 63 c m':['(00g)','(00g)0ss',], 2398 #186 2399 'P 63 m c':['(00g)','(00g)0ss',], 2400 #187 2296 2401 'P 6 m 2':['(00g)','(00g)0s0',], 2297 'P 6 c 2':['(00g)','(00g)0s0',], 2402 #188 2403 'P 6 c 2':['(00g)',], 2404 #189 2298 2405 'P 6 2 m':['(00g)','(00g)00s',], 2299 'P 6 2 c':['(00g)','(00g)00s',], 2406 #190 2407 'P 6 2 c':['(00g)',], 2408 #191 2300 2409 'P 6/m m m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2301 'P 6/m c c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2302 'P 63/m c m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2303 'P 63/m m c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2410 #192 2411 'P 6/m c c':['(00g)','(00g)s00s',], 2412 #193 2413 'P 63/m c m':['(00g)','(00g)00ss',], 2414 #194 2415 'P 63/m m c':['(00g)','(00g)00ss'], 2304 2416 } 2305 2417
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