| Line | |
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| 1 | #/* |
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| 2 | # van Langevelde, A., Peschar, R. & Schenk, H. (2001). Acta Cryst. B57, 372-377 |
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| 3 | # _cell_length_a 12.0626(6) |
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| 4 | # _cell_length_b 41.7140(10) |
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| 5 | # _cell_length_c 5.4588(3) |
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| 6 | # _cell_angle_alpha 73.388(4) |
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| 7 | # _cell_angle_beta 100.408(5) |
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| 8 | # _cell_angle_gamma 118.274(4) |
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| 9 | # _cell_volume 2314.7(2) |
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| 10 | # |
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| 11 | #P-1 0 2314.021 12.10 -0.0078 5.4599 12.0633 36.3314 80.085 84.703 79.567 === 13 21 25 11 12 18 |
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| 12 | #*/ |
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| 13 | # |
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| 14 | #seed |
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| 15 | #index_lam .699716 |
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| 16 | #index_zero_error |
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| 17 | #try_space_groups 2 |
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| 18 | # |
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| 19 | #load index_th2 index_I { |
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| 20 | 2.237138 83.54735 |
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| 21 | 3.358393 373.4113 |
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| 22 | 3.423128 22.62696 |
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| 23 | 3.775259 42.80713 |
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| 24 | 4.378967 13.49232 |
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| 25 | 4.481369 33.55852 |
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| 26 | 5.183543 6.214883 |
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| 27 | 5.600297 5.065171 |
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| 28 | 6.066553 16.08208 |
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| 29 | 6.726312 67.87632 |
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| 30 | 6.849981 4.981914 |
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| 31 | 7.022042 5.721908 |
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| 32 | 7.112166 17.43463 |
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| 33 | 7.483016 947.3223 |
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| 34 | 7.543477 15.18942 |
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| 35 | 7.630643 454.6099 |
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| 36 | 7.677774 476.3506 |
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| 37 | 7.714163 254.1279 |
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| 38 | 7.94412 557.5694 |
|---|
| 39 | 8.005839 74.49574 |
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| 40 | 8.100239 48.66022 |
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| 41 | 8.28903 54.94569 |
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| 42 | 8.368912 91.18119 |
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| 43 | 8.394422 150.8924 |
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| 44 | 8.47872 73.81423 |
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| 45 | 8.736426 3329.254 |
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| 46 | 8.814451 3178.083 |
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| 47 | 8.968141 143.6684 |
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| 48 | 9.038371 871.2797 |
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| 49 | 9.068611 64.40829 |
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| 50 | 9.144188 84.69591 |
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| 51 | 9.264727 23.11744 |
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| 52 | 9.30232 85.76968 |
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| 53 | 9.335479 31.39489 |
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| 54 | 9.390644 12.87791 |
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| 55 | 9.527594 80.61553 |
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| 56 | 9.583498 158.0868 |
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| 57 | # /* |
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| 58 | 9.859237 119.8223 |
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| 59 | 9.944445 78.00174 |
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| 60 | 9.983098 593.8809 |
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| 61 | 10.16214 39.45012 |
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| 62 | 10.28613 128.4652 |
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| 63 | 10.35064 23.33959 |
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| 64 | 10.44856 383.355 |
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| 65 | 10.49106 2663.412 |
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| 66 | 10.85421 614.5062 |
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| 67 | 10.90049 3173.289 |
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| 68 | 11.04665 57.68804 |
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| 69 | 11.08844 400.764 |
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| 70 | 11.18072 52.22691 |
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| 71 | 11.23273 26.4534 |
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| 72 | 11.31195 105.271 |
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| 73 | 11.35873 288.1344 |
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| 74 | # */ |
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| 75 | #} |
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| 76 | |
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