# generated using pymatgen
data_W48CS95
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W48CS95
_chemical_formula_sum   'W48 C1 S95'
_cell_volume   6009.86369232
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  W  W1  1  0.000448  0.750233  0.505681  1
  W  W2  1  0.083333  0.874533  0.505796  1
  W  W3  1  -0.000047  0.499814  0.499777  1
  W  W4  1  0.083333  0.624425  0.502082  1
  W  W5  1  0.166218  0.750233  0.505681  1
  W  W6  1  0.250550  0.875266  0.501999  1
  W  W7  1  0.000092  0.249839  0.498907  1
  W  W8  1  0.083333  0.374776  0.499105  1
  W  W9  1  0.166713  0.499814  0.499777  1
  W  W10  1  0.249408  0.625098  0.500803  1
  W  W11  1  0.332953  0.750375  0.500655  1
  W  W12  1  0.416809  0.875048  0.499485  1
  W  W13  1  -0.000194  -0.000504  0.501125  1
  W  W14  1  0.083333  0.124838  0.499609  1
  W  W15  1  0.166575  0.249839  0.498907  1
  W  W16  1  0.250016  0.374975  0.498680  1
  W  W17  1  0.333228  0.499908  0.498711  1
  W  W18  1  0.416589  0.625110  0.498894  1
  W  W19  1  0.500018  0.750132  0.498502  1
  W  W20  1  0.583333  0.874975  0.498592  1
  W  W21  1  0.166861  -0.000504  0.501126  1
  W  W22  1  0.250173  0.124950  0.499122  1
  W  W23  1  0.333303  0.249960  0.498359  1
  W  W24  1  0.416653  0.375066  0.498047  1
  W  W25  1  0.499947  0.500208  0.498097  1
  W  W26  1  0.583333  0.625021  0.498194  1
  W  W27  1  0.666648  0.750132  0.498502  1
  W  W28  1  0.749858  0.875048  0.499485  1
  W  W29  1  0.333469  0.000105  0.499723  1
  W  W30  1  0.416620  0.124997  0.498612  1
  W  W31  1  0.500071  0.250083  0.498034  1
  W  W32  1  0.583333  0.375078  0.497850  1
  W  W33  1  0.666720  0.500208  0.498097  1
  W  W34  1  0.750078  0.625110  0.498894  1
  W  W35  1  0.833714  0.750375  0.500655  1
  W  W36  1  0.916117  0.875266  0.501999  1
  W  W37  1  0.500151  0.000056  0.498857  1
  W  W38  1  0.583333  0.125025  0.498416  1
  W  W39  1  0.666596  0.250084  0.498034  1
  W  W40  1  0.750014  0.375066  0.498047  1
  W  W41  1  0.833438  0.499908  0.498711  1
  W  W42  1  0.917259  0.625098  0.500803  1
  W  W43  1  0.666515  0.000056  0.498857  1
  W  W44  1  0.750047  0.124997  0.498612  1
  W  W45  1  0.833364  0.249960  0.498360  1
  W  W46  1  0.916651  0.374975  0.498681  1
  W  W47  1  0.833198  0.000105  0.499723  1
  W  W48  1  0.916494  0.124950  0.499123  1
  C  C49  1  0.083333  0.791661  0.443015  1
  S  S50  1  0.165857  0.914892  0.392085  1
  S  S51  1  0.083333  0.542014  0.389600  1
  S  S52  1  0.165180  0.668145  0.391971  1
  S  S53  1  0.247736  0.792038  0.391871  1
  S  S54  1  0.332869  0.916511  0.389402  1
  S  S55  1  0.083333  0.291546  0.388106  1
  S  S56  1  0.166458  0.416780  0.388345  1
  S  S57  1  0.249470  0.542142  0.388921  1
  S  S58  1  0.332338  0.667120  0.389381  1
  S  S59  1  0.415909  0.791794  0.388628  1
  S  S60  1  0.499780  0.916683  0.388073  1
  S  S61  1  0.083333  0.040757  0.389903  1
  S  S62  1  0.166515  0.166271  0.388418  1
  S  S63  1  0.249761  0.291576  0.387886  1
  S  S64  1  0.333066  0.416785  0.387577  1
  S  S65  1  0.416262  0.541960  0.387737  1
  S  S66  1  0.499678  0.666805  0.387671  1
  S  S67  1  0.583333  0.791736  0.387505  1
  S  S68  1  0.666887  0.916683  0.388073  1
  S  S69  1  0.249663  0.041107  0.389143  1
  S  S70  1  0.333168  0.166458  0.387778  1
  S  S71  1  0.416536  0.291640  0.387358  1
  S  S72  1  0.499902  0.416873  0.387219  1
  S  S73  1  0.583333  0.541844  0.387253  1
  S  S74  1  0.666989  0.666805  0.387671  1
  S  S75  1  0.750758  0.791794  0.388629  1
  S  S76  1  0.833797  0.916511  0.389403  1
  S  S77  1  0.416523  0.041451  0.388199  1
  S  S78  1  0.499924  0.166534  0.387587  1
  S  S79  1  0.583333  0.291710  0.387107  1
  S  S80  1  0.666765  0.416873  0.387219  1
  S  S81  1  0.750404  0.541960  0.387737  1
  S  S82  1  0.834329  0.667120  0.389381  1
  S  S83  1  0.918931  0.792038  0.391871  1
  S  S84  1  0.000810  0.914892  0.392085  1
  S  S85  1  0.583333  0.041570  0.387792  1
  S  S86  1  0.666743  0.166534  0.387587  1
  S  S87  1  0.750131  0.291641  0.387358  1
  S  S88  1  0.833601  0.416785  0.387578  1
  S  S89  1  0.917196  0.542141  0.388921  1
  S  S90  1  0.001487  0.668145  0.391971  1
  S  S91  1  0.750143  0.041451  0.388200  1
  S  S92  1  0.833499  0.166458  0.387779  1
  S  S93  1  0.916906  0.291577  0.387886  1
  S  S94  1  0.000207  0.416780  0.388346  1
  S  S95  1  0.917004  0.041107  0.389143  1
  S  S96  1  0.000152  0.166271  0.388419  1
  S  S97  1  0.083333  0.791611  0.622303  1
  S  S98  1  0.168063  0.917516  0.613785  1
  S  S99  1  0.083333  0.540447  0.611589  1
  S  S100  1  0.166964  0.665191  0.613643  1
  S  S101  1  0.251669  0.792191  0.613576  1
  S  S102  1  0.334560  0.917199  0.611436  1
  S  S103  1  0.083333  0.291440  0.609867  1
  S  S104  1  0.166809  0.416186  0.610000  1
  S  S105  1  0.250365  0.541118  0.610357  1
  S  S106  1  0.333673  0.666545  0.610530  1
  S  S107  1  0.417395  0.791701  0.610134  1
  S  S108  1  0.500409  0.916757  0.609777  1
  S  S109  1  0.083333  0.041836  0.611071  1
  S  S110  1  0.166818  0.166668  0.609988  1
  S  S111  1  0.250149  0.291576  0.609362  1
  S  S112  1  0.333554  0.416508  0.609272  1
  S  S113  1  0.416782  0.541610  0.609306  1
  S  S114  1  0.500184  0.666713  0.609242  1
  S  S115  1  0.583333  0.791628  0.609304  1
  S  S116  1  0.666258  0.916757  0.609777  1
  S  S117  1  0.250498  0.042101  0.610595  1
  S  S118  1  0.333541  0.166862  0.609519  1
  S  S119  1  0.416776  0.291750  0.608835  1
  S  S120  1  0.500061  0.416748  0.608685  1
  S  S121  1  0.583333  0.541709  0.608940  1
  S  S122  1  0.666483  0.666713  0.609243  1
  S  S123  1  0.749272  0.791700  0.610134  1
  S  S124  1  0.832106  0.917199  0.611437  1
  S  S125  1  0.417090  0.041954  0.609882  1
  S  S126  1  0.500064  0.166883  0.609064  1
  S  S127  1  0.583333  0.291835  0.608754  1
  S  S128  1  0.666606  0.416748  0.608685  1
  S  S129  1  0.749885  0.541610  0.609306  1
  S  S130  1  0.832994  0.666545  0.610530  1
  S  S131  1  0.914998  0.792192  0.613576  1
  S  S132  1  -0.001396  0.917516  0.613785  1
  S  S133  1  0.583333  0.041893  0.609615  1
  S  S134  1  0.666603  0.166884  0.609064  1
  S  S135  1  0.749891  0.291750  0.608835  1
  S  S136  1  0.833112  0.416509  0.609273  1
  S  S137  1  0.916302  0.541118  0.610357  1
  S  S138  1  -0.000297  0.665191  0.613643  1
  S  S139  1  0.749577  0.041954  0.609882  1
  S  S140  1  0.833125  0.166862  0.609519  1
  S  S141  1  0.916518  0.291576  0.609363  1
  S  S142  1  -0.000142  0.416186  0.610001  1
  S  S143  1  0.916169  0.042101  0.610595  1
  S  S144  1  -0.000151  0.166667  0.609988  1
