# 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  -0.000701  0.749843  0.506355  1
  W  W2  1  0.083333  0.875534  0.506365  1
  W  W3  1  -0.000157  0.500099  0.499843  1
  W  W4  1  0.083333  0.624546  0.502414  1
  W  W5  1  0.167367  0.749843  0.506356  1
  W  W6  1  0.250446  0.875107  0.502468  1
  W  W7  1  0.000224  0.249928  0.498710  1
  W  W8  1  0.083333  0.374927  0.499026  1
  W  W9  1  0.166824  0.500099  0.499843  1
  W  W10  1  0.249302  0.625419  0.501011  1
  W  W11  1  0.332750  0.750295  0.500965  1
  W  W12  1  0.416692  0.874818  0.499677  1
  W  W13  1  0.000031  -0.000716  0.501315  1
  W  W14  1  0.083333  0.125042  0.499657  1
  W  W15  1  0.166442  0.249928  0.498710  1
  W  W16  1  0.249994  0.375194  0.498440  1
  W  W17  1  0.333123  0.499874  0.498553  1
  W  W18  1  0.416751  0.625128  0.498864  1
  W  W19  1  0.500040  0.750196  0.498569  1
  W  W20  1  0.583333  0.874824  0.498680  1
  W  W21  1  0.166636  -0.000716  0.501314  1
  W  W22  1  0.250304  0.124948  0.499056  1
  W  W23  1  0.333172  0.249988  0.497986  1
  W  W24  1  0.416601  0.375094  0.497613  1
  W  W25  1  0.499927  0.500332  0.497733  1
  W  W26  1  0.583333  0.624921  0.498007  1
  W  W27  1  0.666627  0.750196  0.498568  1
  W  W28  1  0.749974  0.874818  0.499675  1
  W  W29  1  0.333213  0.000060  0.499859  1
  W  W30  1  0.416440  0.124816  0.498383  1
  W  W31  1  0.500119  0.250028  0.497574  1
  W  W32  1  0.583333  0.374991  0.497356  1
  W  W33  1  0.666739  0.500332  0.497732  1
  W  W34  1  0.749915  0.625127  0.498864  1
  W  W35  1  0.833917  0.750294  0.500962  1
  W  W36  1  0.916221  0.875107  0.502467  1
  W  W37  1  0.500212  -0.000123  0.498785  1
  W  W38  1  0.583333  0.124877  0.498070  1
  W  W39  1  0.666548  0.250028  0.497574  1
  W  W40  1  0.750065  0.375094  0.497613  1
  W  W41  1  0.833545  0.499874  0.498553  1
  W  W42  1  0.917364  0.625419  0.501009  1
  W  W43  1  0.666455  -0.000123  0.498785  1
  W  W44  1  0.750226  0.124816  0.498383  1
  W  W45  1  0.833495  0.249988  0.497986  1
  W  W46  1  0.916673  0.375193  0.498439  1
  W  W47  1  0.833454  0.000060  0.499859  1
  W  W48  1  0.916363  0.124948  0.499056  1
  C  C49  1  0.083334  0.791418  0.446387  1
  S  S50  1  0.165835  0.914699  0.392253  1
  S  S51  1  0.083333  0.542336  0.389814  1
  S  S52  1  0.165107  0.668323  0.392127  1
  S  S53  1  0.247676  0.792030  0.391970  1
  S  S54  1  0.332612  0.916285  0.389726  1
  S  S55  1  0.083333  0.291749  0.387958  1
  S  S56  1  0.166368  0.417080  0.388385  1
  S  S57  1  0.249419  0.542461  0.389085  1
  S  S58  1  0.332353  0.667204  0.389604  1
  S  S59  1  0.415752  0.791672  0.388861  1
  S  S60  1  0.499634  0.916436  0.388239  1
  S  S61  1  0.083333  0.040809  0.390166  1
  S  S62  1  0.166537  0.166249  0.388512  1
  S  S63  1  0.249617  0.291709  0.387783  1
  S  S64  1  0.332968  0.416912  0.387376  1
  S  S65  1  0.416121  0.542064  0.387713  1
  S  S66  1  0.499662  0.666935  0.387723  1
  S  S67  1  0.583333  0.791696  0.387570  1
  S  S68  1  0.667033  0.916436  0.388238  1
  S  S69  1  0.249460  0.040952  0.389397  1
  S  S70  1  0.333079  0.166392  0.387643  1
  S  S71  1  0.416465  0.291607  0.387140  1
  S  S72  1  0.499850  0.416926  0.387017  1
  S  S73  1  0.583333  0.541926  0.386999  1
  S  S74  1  0.667005  0.666935  0.387723  1
  S  S75  1  0.750915  0.791672  0.388860  1
  S  S76  1  0.834056  0.916285  0.389726  1
  S  S77  1  0.416388  0.041132  0.388326  1
  S  S78  1  0.499806  0.166329  0.387479  1
  S  S79  1  0.583333  0.291623  0.386783  1
  S  S80  1  0.666816  0.416926  0.387017  1
  S  S81  1  0.750546  0.542063  0.387712  1
  S  S82  1  0.834312  0.667203  0.389601  1
  S  S83  1  0.918992  0.792030  0.391969  1
  S  S84  1  0.000831  0.914699  0.392253  1
  S  S85  1  0.583333  0.041291  0.387668  1
  S  S86  1  0.666861  0.166329  0.387479  1
  S  S87  1  0.750201  0.291607  0.387140  1
  S  S88  1  0.833698  0.416912  0.387376  1
  S  S89  1  0.917248  0.542460  0.389083  1
  S  S90  1  0.001560  0.668323  0.392126  1
  S  S91  1  0.750279  0.041132  0.388326  1
  S  S92  1  0.833587  0.166392  0.387643  1
  S  S93  1  0.917050  0.291709  0.387783  1
  S  S94  1  0.000298  0.417081  0.388385  1
  S  S95  1  0.917206  0.040952  0.389397  1
  S  S96  1  0.000130  0.166249  0.388511  1
  S  S97  1  0.083333  0.791621  0.621492  1
  S  S98  1  0.168036  0.917585  0.614540  1
  S  S99  1  0.083333  0.540547  0.611662  1
  S  S100  1  0.167042  0.665170  0.614392  1
  S  S101  1  0.251877  0.792168  0.614560  1
  S  S102  1  0.334518  0.917145  0.611627  1
  S  S103  1  0.083333  0.291577  0.609622  1
  S  S104  1  0.166814  0.416349  0.609780  1
  S  S105  1  0.250483  0.541266  0.610336  1
  S  S106  1  0.333847  0.666474  0.610677  1
  S  S107  1  0.417399  0.791535  0.610349  1
  S  S108  1  0.500333  0.916627  0.609737  1
  S  S109  1  0.083334  0.042023  0.611140  1
  S  S110  1  0.166896  0.166780  0.609752  1
  S  S111  1  0.250108  0.291693  0.608887  1
  S  S112  1  0.333572  0.416527  0.608933  1
  S  S113  1  0.416780  0.541562  0.608971  1
  S  S114  1  0.500255  0.666706  0.609089  1
  S  S115  1  0.583334  0.791586  0.609431  1
  S  S116  1  0.666334  0.916627  0.609737  1
  S  S117  1  0.250333  0.042119  0.610608  1
  S  S118  1  0.333555  0.166931  0.609197  1
  S  S119  1  0.416788  0.291724  0.608187  1
  S  S120  1  0.500064  0.416744  0.608019  1
  S  S121  1  0.583333  0.541676  0.608544  1
  S  S122  1  0.666412  0.666705  0.609088  1
  S  S123  1  0.749270  0.791535  0.610346  1
  S  S124  1  0.832149  0.917146  0.611626  1
  S  S125  1  0.417072  0.041815  0.609646  1
  S  S126  1  0.500017  0.166801  0.608470  1
  S  S127  1  0.583333  0.291790  0.608162  1
  S  S128  1  0.666603  0.416744  0.608019  1
  S  S129  1  0.749888  0.541561  0.608970  1
  S  S130  1  0.832819  0.666474  0.610676  1
  S  S131  1  0.914789  0.792168  0.614558  1
  S  S132  1  -0.001370  0.917585  0.614540  1
  S  S133  1  0.583333  0.041813  0.609311  1
  S  S134  1  0.666650  0.166802  0.608470  1
  S  S135  1  0.749879  0.291724  0.608187  1
  S  S136  1  0.833095  0.416527  0.608932  1
  S  S137  1  0.916183  0.541266  0.610334  1
  S  S138  1  -0.000377  0.665170  0.614391  1
  S  S139  1  0.749594  0.041816  0.609646  1
  S  S140  1  0.833112  0.166931  0.609198  1
  S  S141  1  0.916558  0.291693  0.608888  1
  S  S142  1  -0.000148  0.416350  0.609780  1
  S  S143  1  0.916333  0.042118  0.610608  1
  S  S144  1  -0.000229  0.166780  0.609752  1
