Changeset 1565 for trunk/GSASIIspc.py
 Timestamp:
 Nov 9, 2014 3:22:13 PM (8 years ago)
 File:

 1 edited
Legend:
 Unmodified
 Added
 Removed

trunk/GSASIIspc.py
r1564 r1565 525 525 def extendSSGOps(SSGOps): 526 526 nOps = len(SSGOps) 527 for OpA in SSGOps [1:]:527 for OpA in SSGOps: 528 528 OpAtxt = SSMT2text(OpA) 529 529 if 't' not in OpAtxt: 530 530 continue 531 for OpB in SSGOps [1:]:531 for OpB in SSGOps: 532 532 OpBtxt = SSMT2text(OpB) 533 533 if 't' not in OpBtxt: 534 534 continue 535 OpC = list(SGProd(Op A,OpB))535 OpC = list(SGProd(OpB,OpA)) 536 536 OpC[1] %= 1. 537 537 OpCtxt = SSMT2text(OpC) 538 # print OpAtxt.replace(' ','')+' *'+OpBtxt.replace(' ','')+'='+OpCtxt.replace(' ','')539 for k,OpD in enumerate(SSGOps [1:]):538 # print OpAtxt.replace(' ','')+' * '+OpBtxt.replace(' ','')+' = '+OpCtxt.replace(' ','') 539 for k,OpD in enumerate(SSGOps): 540 540 OpDtxt = SSMT2text(OpD) 541 541 if 't' in OpDtxt: 542 542 continue 543 # print ' ('+OpCtxt.replace(' ','')+' =? '+OpDtxt.replace(' ','')+')'543 # print ' ('+OpCtxt.replace(' ','')+' = ? '+OpDtxt.replace(' ','')+')' 544 544 if OpCtxt == OpDtxt: 545 545 continue 546 546 elif OpCtxt.split(',')[:3] == OpDtxt.split(',')[:3]: 547 547 if 't' not in OpDtxt: 548 SSGOps[k+1] = OpC 549 # print k+1,' new:',OpCtxt.replace(' ','') 548 SSGOps[k] = OpC 549 # print k,' new:',OpCtxt.replace(' ','') 550 break 550 551 else: 551 552 OpCtxt = OpCtxt.replace(' ','') … … 558 559 def genSSGOps(): 559 560 SSGOps = SSGData['SSGOps'][:] 561 OrthOp = {'g':[1,2,3],'a':[3,1,2],'b':[2,3,1]} 560 562 iFrac = {} 561 563 for i,frac in enumerate(SSGData['modSymb']): 562 564 if frac in ['1/2','1/3','1/4','1/6','1']: 563 iFrac[i] = frac 565 iFrac[i] = frac+'.' 564 566 print SGData['SpGrp']+SSymbol 565 567 print 'SSGKl',SSGKl,'genQ',genQ,'iFrac',iFrac,'modSymb',SSGData['modSymb'] 566 568 # set identity & 1,1; triclinic 567 569 SSGOps[0][0][3,3] = 1. 568 # expand if centrosymmetric569 if SGData['SGInv']:570 SSGOps += [[1*M,V] for M,V in SSGOps[:]]570 ## expand if centrosymmetric 571 # if SGData['SGInv']: 572 # SSGOps += [[1*M,V] for M,V in SSGOps[:]] 571 573 # monoclinic  all done & all checked 572 574 if SGData['SGPtGrp'] in ['2','m']: #OK … … 576 578 SSGOps[1][0][3,i] = SSGKl[0] 577 579 elif SGData['SGPtGrp'] == '2/m': #OK 578 for i,j in enumerate([1,3]): 579 SSGOps[j][0][3,3] = SSGKl[i] 580 if genQ[i]: 581 SSGOps[j][1][3] = genQ[i] 582 for k in iFrac: 583 SSGOps[j][0][3,k] = SSGKl[i] 580 SSGOps[1][0][3,3] = SSGKl[1] 581 if gensym: 582 SSGOps[1][1][3] = 0.5 583 for i in iFrac: 584 SSGOps[1][0][3,i] = SSGKl[0] 584 585 585 586 # orthorhombic 586 587 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 j in iFrac: 592 for i in Gens: 593 if i != j: 594 SSGOps[i][0][3,j] = 2.*eval(iFrac[j])*SSGKl[i1] 587 595 for i in [0,1,2]: 588 SSGOps[i+1][0][3,3] = SSGKl[i] 589 SSGOps[i+1][1][3] = genQ[i] 590 for i in iFrac: 591 SSGOps[1][0][3,i] = 1 592 print SSMT2text(SSGOps[1]).replace(' ',''),SSMT2text(SSGOps[2]).replace(' ',''), \ 593 SSMT2text(SSGOps[3]).replace(' ','') 596 SSGOps[(i+1)%3+1][0][3,3] = SSGKl[(i+1)%3] #OK 597 SSGOps[(i+1)%3+1][1][3] = genQ[(i+1)%3] #OK 598 E,SSGOps = extendSSGOps(SSGOps) 599 if not E: 600 return E,SSGOps 601 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] 608 SSGOps[(i+1)%3+1][1][3] = genQ[(i+1)%3] 609 E,SSGOps = extendSSGOps(SSGOps) 610 if not E: 611 return E,SSGOps 594 612 595 # tetragonal 613 # tetragonal  all done & checked 596 614 elif SGData['SGPtGrp'] == '4': #OK 597 615 SSGOps[1][0][3,3] = SSGKl[0] … … 606 624 if '1/2' in SSGData['modSymb']: 607 625 SSGOps[1][0][3,1] = SSGKl[0] 608 for i,j in enumerate([1, 6]):609 SSGOps[j][0][3,3] = SSGKl[i]626 for i,j in enumerate([1,3]): 627 SSGOps[j][0][3,3] = 1 610 628 if genQ[i]: 611 629 SSGOps[j][1][3] = genQ[i] … … 613 631 if not E: 614 632 return E,SSGOps 615 elif SGData['SGPtGrp'] in ['422','4mm','42m','4m2',]: 616 for i,j in enumerate([1,4,5]): 617 if '1/2' in SSGData['modSymb']: 633 elif SGData['SGPtGrp'] in ['422','4mm','42m','4m2',]: #OK 634 iGens = [1,4,5] 635 if SGData['SGPtGrp'] in ['4mm','4m2',]: 636 iGens = [1,6,7] 637 for i,j in enumerate(iGens): 638 if '1/2' in SSGData['modSymb'] and i < 2: 618 639 SSGOps[j][0][3,1] = SSGKl[i] 619 if SGData['SGPtGrp'] in ['422','42m','4m2',]: 620 SSGOps[j][0][3,3] = SSGKl[i] 621 if i and genQ[2]: 622 SSGOps[j][1][3] = genQ[i] 623 else: #4mm 624 SSGOps[j][0][3,3] = SSGKl[i] 625 if genQ[i]: 626 SSGOps[j][1][3] = genQ[i] 640 SSGOps[j][0][3,3] = SSGKl[i] 641 if genQ[i]: 642 SSGOps[j][1][3] = genQ[i] 627 643 E,SSGOps = extendSSGOps(SSGOps) 628 644 if not E: 629 645 return E,SSGOps 630 elif SGData['SGPtGrp'] in ['4/mmm',]: 646 elif SGData['SGPtGrp'] in ['4/mmm',]:#OK 631 647 if '1/2' in SSGData['modSymb']: 632 648 SSGOps[1][0][3,1] = SSGKl[0] 633 649 SSGOps[6][0][3,1] = SSGKl[1] 634 for i,j in enumerate([1,10,6,7]): 635 SSGOps[j][0][3,3] = SSGKl[i] 636 if genQ[i]: 637 SSGOps[j][1][3] = genQ[i] 650 if modsym: 651 SSGOps[1][1][3] = genQ[3] 652 for i,j in enumerate([1,2,6,7]): 653 SSGOps[j][0][3,3] = 1 654 SSGOps[j][1][3] = genQ[i] 638 655 E,Result = extendSSGOps(SSGOps) 639 656 if not E: 640 for Op in SSGOps:641 print SSMT2text(Op)642 657 return E,Result 643 658 else: 644 659 SSGOps = Result 645 660 646 # trigonal  all done 661 # trigonal  all done & checked 647 662 elif SGData['SGPtGrp'] == '3': #OK 648 663 SSGOps[1][0][3,3] = SSGKl[0] … … 673 688 ids = [1,3] 674 689 if SGData['SGPtGrp'] == '31m': 675 ids = [ 7,3]690 ids = [1,3] 676 691 if '1/3' in SSGData['modSymb']: 677 692 SSGOps[ids[0]][0][3,1] = SSGKl[0] 678 693 for i,j in enumerate(ids): 679 SSGOps[j][0][3,3] = SSGKl[i]694 SSGOps[j][0][3,3] = 1 680 695 if genQ[i+1]: 681 696 SSGOps[j][1][3] = genQ[i+1] 682 697 683 # hexagonal 698 # hexagonal all done & checked 684 699 elif SGData['SGPtGrp'] == '6': #OK 685 700 SSGOps[1][0][3,3] = SSGKl[0] … … 691 706 SSGOps[1][1][3] = genQ[0] 692 707 SSGOps[2][1][3] = genQ[1] 693 elif SGData['SGPtGrp'] in ['622', '6mm','62m','6m2',]: #OK694 for i,j in enumerate([1, 10,11]):708 elif SGData['SGPtGrp'] in ['622',]: #OK 709 for i,j in enumerate([1,8,9]): 695 710 SSGOps[j][0][3,3] = SSGKl[i] 696 711 if genQ[i]: 697 712 SSGOps[j][1][3] = genQ[i] 698 713 E,SSGOps = extendSSGOps(SSGOps) 699 elif SGData['SGPtGrp'] in ['6/mmm',]: #not OK 700 for i,j in enumerate([1,15,10,11]): 714 715 elif SGData['SGPtGrp'] in ['6mm','62m','6m2',]: #OK 716 for i,j in enumerate([1,6,7]): 701 717 SSGOps[j][0][3,3] = SSGKl[i] 718 if genQ[i]: 719 SSGOps[j][1][3] = genQ[i] 720 E,SSGOps = extendSSGOps(SSGOps) 721 elif SGData['SGPtGrp'] in ['6/mmm',]: # OK 722 for i,j in enumerate([1,2,10,11]): 723 SSGOps[j][0][3,3] = 1 702 724 if genQ[i]: 703 725 SSGOps[j][1][3] = genQ[i] … … 738 760 elif SGData['SGPtGrp'] in ['222',] and sym not in ['','s00','0s0','00s']: 739 761 return False 740 elif SGData['SGPtGrp'] in ['2mm','m2m','mm2','mmm'] and sym not in GenSymList[4:15]:762 elif SGData['SGPtGrp'] in ['2mm','m2m','mm2','mmm'] and sym not in ['',]+GenSymList[4:15]: 741 763 return False 742 764 #tetragonal  all done … … 749 771 elif SGData['SGPtGrp'] in ['422',] and sym not in ['','q00','s00']: 750 772 return False 751 elif SGData['SGPtGrp'] in ['4mm',] and sym not in ['','ss0','s0s','0ss',' qq0','qqs']:773 elif SGData['SGPtGrp'] in ['4mm',] and sym not in ['','ss0','s0s','0ss','00s',]: 752 774 return False 753 775 elif SGData['SGPtGrp'] in ['4m2',] and sym not in ['','0s0','0q0']: 754 776 return False 755 elif SGData['SGPtGrp'] in ['42m',] and sym not in ['','0 0s','00q']:777 elif SGData['SGPtGrp'] in ['42m',] and sym not in ['','0ss','00q']: 756 778 return False 757 elif SGData['SGPtGrp'] in ['4/mmm',] and sym not in ['','s00s','s0s0','00ss', '000s',]:779 elif SGData['SGPtGrp'] in ['4/mmm',] and sym not in ['','s00s','s0s0','00ss',]: 758 780 return False 759 781 #trigonal/rhombohedral  all done … … 797 819 LaueList = ['1','2/m','mmm','4/m','4/mmm','3R','3mR','3','3m1','31m','6/m','6/mmm','m3','m3m'] 798 820 GenSymList = ['','s','0s','s0', '00s','0s0','s00','s0s','ss0','0ss','q00','0q0','00q','qq0','q0q', '0qq', 799 'q','qqs','s0s0','00ss','s00s',' 000s','t','t00','t0','h','h00']821 'q','qqs','s0s0','00ss','s00s','t','t00','t0','h','h00'] 800 822 Fracs = {'1/2':0.5,'1/3':1./3,'1':1.0,'0':0.,'s':.5,'t':1./3,'q':.25,'h':1./6,'a':0.,'b':0.,'g':0.} 801 823 LaueId = LaueList.index(SGData['SGLaue']) … … 1001 1023 A,U = OpA 1002 1024 B,V = OpB 1003 M = np.inner(B,A )1025 M = np.inner(B,A.T) 1004 1026 W = np.inner(B,U)+V 1005 1027 return M,W … … 1840 1862 'C 2/n':['(a0g)','(a0g)0s','(0b0)','(0b0)s0',], 1841 1863 #orthorhombic 1842 'P 2 2 2':['(a00)','(0b0)','(00g)','(a00)s00','(0b0)0s0','(00g)00s', 1843 '(a1/20)','(a01/2)','(0b1/2)','(1/2b0)','(01/2g)','(1/20g)', 1844 '(a1/21/2)','(1/2b1/2)','(1/21/2g)',], 1845 1846 'P 2 2 21':['(a00)','(0b0)','(00g)','(a00)s00','(0b0)0s0', 1847 '(a1/20)','(1/2b0)','(01/2g)','(1/20g)','(1/21/2g)',], 1848 'P 2 21 2':['(a00)','(0b0)','(00g)','(a00)s00','(00g)00s', 1849 '(a01/2)','(1/20g)','(0b1/2)','(1/2b0)','(1/2b1/2)',], 1850 'P 21 2 2':['(a00)','(0b0)','(00g)','(0b0)0s0','(00g)00s', 1851 '(01/2g)','(0b1/2)','(a01/2)','(a1/20)','(a1/21/2)',], 1852 1853 'P 21 21 2':['(a00)','(0b0)','(00g)','(00g)00s','(a01/2)','(0b1/2)',], 1854 'P 21 2 21':['(a00)','(0b0)','(00g)','(0b0)0s0','(a1/20)','(01/2g)',], 1855 'P 2 21 21':['(a00)','(0b0)','(00g)','(a00)s00','(1/2b0)','(1/20g)',], 1856 1857 'P 21 21 21':['(a00)','(0b0)','(00g)',], 1864 'P 2 2 2':['(00g)','(00g)00s','(01/2g)','(01/2g)00s','(1/20g)','(1/20g)00s','(1/21/2g)','(1/21/2g)00s', 1865 '(a00)','(a00)s00','(a01/2)','(a01/2)s00','(a1/20)','(a1/20)s00','(a1/21/2)','(a1/21/2)s00', 1866 '(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0','(1/2b0)','(1/2b0)0s0','(1/2b1/2)','(1/2b1/2)0s0',], 1867 1868 'P 2 2 21':['(00g)','(00g)00s','(01/2g)','(01/2g)00s','(1/20g)','(1/20g)00s','(1/21/2g)','(1/21/2g)00s', 1869 '(a00)','(a00)s00','(a1/20)','(a1/20)s00','(0b0)','(0b0)0s0','(1/2b0)','(1/2b0)0s0',], 1870 'P 2 21 2':['(a00)','(a00)s00','(a01/2)','(a01/2)s00','(a1/20)','(a1/20)s00','(a1/21/2)','(a1/21/2)s00', 1871 '(00g)','(00g)00s','(01/2g)','(01/2g)00s','(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0',], 1872 'P 21 2 2':['(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0','(1/2b0)','(1/2b0)0s0','(1/2b1/2)','(1/2a1/2)0s0', 1873 '(00g)','(00g)00s','(1/20g)','(1/20g)00s','(a00)','(a00)s00','(a01/2)','(a01/2)s00',], 1874 1875 'P 21 21 2':['(00g)','(00g)00s','(a00)','(a00)s00','(a01/2)','(a01/2)s00', 1876 '(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0',], 1877 'P 21 2 21':['(0b0)','(0b0)0s0','(00g)','(00g)00s','(01/2g)','(01/2g)00s', 1878 '(a00)','(a00)s00','(a1/20)','(a1/20)s00',], 1879 'P 2 21 21':['(a00)','(a00)s00','(00g)','(00g)00s','(1/20g)','(1/20g)00s', 1880 '(0b0)','(0b0)0s0','(1/2b0)','(1/2b0)0s0',], 1881 1882 'P 21 21 21':['(00g)','(00g)00s','(a00)','(a00)s00','(0b0)','(0b0)0s0',], 1883 1884 'C 2 2 21':['(00g)','(00g)00s','(10g)','(10g)00s','(01g)','(01g)00s','(a00)', 1885 '(a00)s00','(0b0)','(0b0)0s0',], 1886 'A 21 2 2':['(a00)','(a00)s00','(a10)','(a10)s00','(a01)','(a01)s00','(0b0)', 1887 '(0b0)0s0','(00g)','(00g)00s',], 1888 'B 2 21 2':['(0b0)','(0b0)0s0','(1b0)','(1b0)0s0','(0b1)','(0b1)0s0','(a00)', 1889 '(a00)s00','(00g)','(00g)00s',], 1890 1891 'C 2 2 2':['(00g)','(00g)00s','(10g)','(10g)00s','(a00)','(a00)s00','(a01/2)', 1892 '(a01/2)s00','(0b0)','(0b0)0s0','(0b1/2)','(0b1/2)0s0',], 1893 'A 2 2 2':['(a00)','(a00)s00','(a10)','(a10)s00','(0b0)','(0b0)0s0','(1/2b0)', 1894 '(1/2b0)0s0','(00g)','(00g)00s','(1/20g)','(1/20g)00s',], 1895 'B 2 2 2':['(0b0)','(0b0)0b0','(1b0)','(1b0)0s0','(a00)','(a00)s00','(a1/20)', 1896 '(a1/20)0s0','(00g)','(00g)00s','(01/2g)','(01/2g)00s',], 1897 1898 'F 2 2 2':['(00g)','(00g)00s','(10g)','(10g)00s','(01g)','(01g)00s','(a00)','(a00)s00', 1899 '(a10)','(a10)s00','(a01)','(a01)s00','(0b0)','(0b0)0s0','(1b0)','(1b0)0s0','(0b1)','(0b1)0s0',], 1900 1901 'I 2 2 2':['(00g)','(00g)00s','(a00)','(a00)s00','(0b0)','(0b0)0s0',], 1902 1903 'I 21 21 21':['(00g)','(00g)00s','(a00','(a00)s00','(0b0)','(0b0)0s0',], 1858 1904 1859 1905 'P m m 2':['(a00)','(0b0)','(00g)', … … 1918 1964 'P n 2 n':[], 1919 1965 1920 'P m m m':[], 1921 1922 'P n n n':[], 1923 1924 'P c c m':[], 1966 'P m m m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(01/2g)','(01/2g)s00','(01/2g)0s0','(01/2g)ss0', 1967 '(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', 1968 '(a00)','(a00)0s0','(a00)00s','(a00)0ss','(a01/2)','(a01/2)0s0','(a01/2)00s','(a01/2)0ss', 1969 '(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', 1970 '(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s','(0b1/2)','(0b1/2)s00','(0b1/2)00s','(0g1/2)s0s', 1971 '(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',], 1972 1973 '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', 1974 '(1/21/2g)','(1/21/2g)00s','(a1/21/2)','(a1/21/2)s00','(1/2b1/2)','(1/2b1/2)0s0',], 1975 1976 'P c c m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(01/2g)','(01/2g)s00','(01/2g)0s0','(01/2g)ss0', 1977 '(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', 1978 '(a00)','(a00)0s0','(a00)00s','(a00)0ss','(a1/20)','(a1/20)0s0','(a1/20)00s','(a1/20)0ss', 1979 '(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s','(1/2b0)','(1/2b0)s00','(1/2b0)00s','(1/2b0)s0s',], 1925 1980 'P m a a':[], 1926 1981 'P b m b':[], … … 2016 2071 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], 2017 2072 2018 'C 2 2 21':['(a00)','(0b0)','(00g)','(10g)','(01g)',],2019 'C 2 2 2':[],2020 2073 'C m m 2':[], 2021 2074 'C m c 21':[], … … 2038 2091 'C c c a':[], 2039 2092 'C m c m':[], 2040 'I 2 2 2':[],2041 'I 21 21 21':[],2042 2093 'I m m m':[], 2043 2094 … … 2082 2133 'I m a m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', 2083 2134 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s'], 2084 2085 'F 2 2 2':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0',2086 '(a00)00s','(a00)0ss','(0b0)','(0b0)s00','(0b0)00s','(0b0)s0s',2087 '(10g)','(10g)s00','(10g)0s0','(10g)ss0','(a10)','(a10)0s0',2088 '(a10)00s','(a10)0ss','(0b1)','(0b1)s00','(0b1)00s','(0b1)s0s',2089 '(01g)','(01g)s00','(01g)0s0','(01g)ss0','(a01)','(a01)0s0',2090 '(a01)00s','(a01)0ss','(1b0)','(1b0)s00','(1b0)00s','(1b0)s0s'],2091 2135 2092 2136 'F m m m':['(00g)','(00g)s00','(00g)0s0','(00g)ss0','(a00)','(a00)0s0', … … 2141 2185 'P 4 m m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s', 2142 2186 '(1/21/2g)','(1/21/2g)ss0','(1/21/2g)0ss','(1/21/2g)s0s',], 2143 'P 4 b m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g) qq0','(1/21/2g)qqs',],2187 'P 4 b m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g)00s',], 2144 2188 'P 42 c m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s', 2145 2189 '(1/21/2g)','(1/21/2g)ss0','(1/21/2g)0ss','(1/21/2g)s0s',], 2146 'P 42 n m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g) qq0','(1/21/2g)qqs',],2190 'P 42 n m':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g)00s',], 2147 2191 'P 4 c c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s', 2148 2192 '(1/21/2g)','(1/21/2g)ss0','(1/21/2g)0ss','(1/21/2g)s0s',], 2149 'P 4 n c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g) qq0','(1/21/2g)qqs'],2193 'P 4 n c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g)00s'], 2150 2194 'P 42 m c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s', 2151 2195 '(1/21/2g)','(1/21/2g)ss0','(1/21/2g)0ss','(1/21/2g)s0s',], 2152 'P 42 b c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g) qq0','(1/21/2g)qqs'],2153 'P 4 2 m':['(00g)','(00g)0 0s','(1/21/2g)','(1/21/2g)00s',],2154 'P 4 2 c':['(00g)','(00g)0 0s',],2155 'P 4 21 m':['(00g)','(00g)0 0s',],2156 'P 4 21 c':['(00g)','(00g)0 0s',],2196 'P 42 b c':['(00g)','(00g)ss0','(00g)0ss','(00g)s0s','(1/21/2g)','(1/21/2g)00s'], 2197 'P 4 2 m':['(00g)','(00g)0ss','(1/21/2g)','(1/21/2g)0ss',], 2198 'P 4 2 c':['(00g)','(00g)0ss','(1/21/2g)','(1/21/2g)0ss',], 2199 'P 4 21 m':['(00g)','(00g)0ss',], 2200 'P 4 21 c':['(00g)','(00g)0ss',], 2157 2201 'P 4 m 2':['(00g)','(00g)0s0','(1/21/2g)','(1/21/2g)0s0',], 2158 2202 'P 4 c 2':['(00g)','(00g)0s0','(1/21/2g)','(1/21/2g)0s0',], 2159 'P 4 b 2':['(00g)','(00g)0s0','(1/21/2g) ','(1/21/2g)0q0',],2160 'P 4 n 2':['(00g)','(00g)0s0','(1/21/2g) ','(1/21/2g)0q0',],2203 'P 4 b 2':['(00g)','(00g)0s0','(1/21/2g)0q0',], 2204 'P 4 n 2':['(00g)','(00g)0s0','(1/21/2g)0q0',], 2161 2205 'P 4/m m m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2162 2206 '(1/21/2g)','(1/21/2g)s0s0','(1/21/2g)00ss','(1/21/2g)s00s',], 2163 2207 'P 4/m c c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2164 2208 '(1/21/2g)','(1/21/2g)s0s0','(1/21/2g)00ss','(1/21/2g)s00s',], 2165 'P 4/n b m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2166 '(1/21/2g)','(1/21/2g)000s',], 2167 'P 4/n n c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2168 '(1/21/2g)','(1/21/2g)000s',], 2209 'P 4/n b m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s','(1/21/2g)',], 2210 'P 4/n n c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s','(1/21/2g)',], 2169 2211 'P 4/m b m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2170 2212 'P 4/m n c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], … … 2175 2217 'P 42/m c m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2176 2218 '(1/21/2g)','(1/21/2g)s0s0','(1/21/2g)00ss','(1/21/2g)s00s',], 2177 'P 42/n b c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2178 '(1/21/2g)','(1/21/2g)000s',], 2179 'P 42/n n m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s', 2180 '(1/21/2g)','(1/21/2g)000s',], 2219 'P 42/n b c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s','(1/21/2g)',], 2220 'P 42/n n m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s','(1/21/2g)',], 2181 2221 'P 42/m b c':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2182 2222 'P 42/m n m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], … … 2196 2236 'I 4 m 2':['(00g)','(00g)0s0',], 2197 2237 'I 4 c 2':['(00g)','(00g)0s0',], 2198 'I 4 2 m':['(00g)','(00g)0 0s',],2199 'I 4 2 d':['(00g)','(00g)0 0s',],2238 'I 4 2 m':['(00g)','(00g)0ss',], 2239 'I 4 2 d':['(00g)','(00g)0ss',], 2200 2240 'I 4/m m m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',], 2201 2241 'I 4/m c m':['(00g)','(00g)s0s0','(00g)00ss','(00g)s00s',],
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