# generated using pymatgen
data_CoW48S95
_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   CoW48S95
_chemical_formula_sum   'Co1 W48 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
  Co  Co1  1  0.085911  0.792927  0.379962  1
  W  W2  1  0.001680  0.750820  0.507356  1
  W  W3  1  0.083442  0.873236  0.508214  1
  W  W4  1  -0.000084  0.500364  0.500195  1
  W  W5  1  0.083173  0.625941  0.503651  1
  W  W6  1  0.164950  0.750953  0.508236  1
  W  W7  1  0.249244  0.874624  0.503842  1
  W  W8  1  0.000063  0.250016  0.498845  1
  W  W9  1  0.083292  0.375218  0.499235  1
  W  W10  1  0.166603  0.500364  0.500182  1
  W  W11  1  0.249433  0.625569  0.500916  1
  W  W12  1  0.332441  0.750143  0.500687  1
  W  W13  1  0.416445  0.874742  0.500089  1
  W  W14  1  0.000271  -0.000644  0.501203  1
  W  W15  1  0.083312  0.124794  0.499381  1
  W  W16  1  0.166573  0.250022  0.498833  1
  W  W17  1  0.249865  0.375184  0.498878  1
  W  W18  1  0.333109  0.500307  0.498845  1
  W  W19  1  0.416374  0.625150  0.498810  1
  W  W20  1  0.499769  0.749922  0.498579  1
  W  W21  1  0.583335  0.874782  0.498910  1
  W  W22  1  0.166344  -0.000709  0.501087  1
  W  W23  1  0.249757  0.124780  0.499217  1
  W  W24  1  0.333165  0.249973  0.498734  1
  W  W25  1  0.416529  0.375113  0.498516  1
  W  W26  1  0.499903  0.500139  0.498305  1
  W  W27  1  0.583296  0.625051  0.498185  1
  W  W28  1  0.666882  0.749901  0.498666  1
  W  W29  1  0.750219  0.874680  0.500044  1
  W  W30  1  0.333008  -0.000178  0.500359  1
  W  W31  1  0.416514  0.124846  0.499117  1
  W  W32  1  0.499924  0.249960  0.498713  1
  W  W33  1  0.583322  0.375064  0.498466  1
  W  W34  1  0.666712  0.500127  0.498339  1
  W  W35  1  0.750193  0.625123  0.498958  1
  W  W36  1  0.834201  0.750047  0.500791  1
  W  W37  1  0.917526  0.874413  0.503594  1
  W  W38  1  0.499883  -0.000230  0.499367  1
  W  W39  1  0.583330  0.124831  0.499010  1
  W  W40  1  0.666743  0.249952  0.498716  1
  W  W41  1  0.750119  0.375119  0.498529  1
  W  W42  1  0.833508  0.500329  0.498914  1
  W  W43  1  0.917171  0.625671  0.500906  1
  W  W44  1  0.666790  -0.000261  0.499332  1
  W  W45  1  0.750153  0.124812  0.499112  1
  W  W46  1  0.833470  0.249958  0.498747  1
  W  W47  1  0.916739  0.375168  0.498882  1
  W  W48  1  0.833642  -0.000258  0.500303  1
  W  W49  1  0.916872  0.124760  0.499263  1
  S  S50  1  0.165201  0.913364  0.393177  1
  S  S51  1  0.083233  0.543175  0.390877  1
  S  S52  1  0.164224  0.669470  0.393331  1
  S  S53  1  0.245797  0.792314  0.393031  1
  S  S54  1  0.331973  0.915993  0.390907  1
  S  S55  1  0.083312  0.291902  0.388194  1
  S  S56  1  0.166426  0.417311  0.388685  1
  S  S57  1  0.249207  0.542647  0.389195  1
  S  S58  1  0.332204  0.667201  0.389276  1
  S  S59  1  0.415419  0.791693  0.388975  1
  S  S60  1  0.499494  0.916400  0.388676  1
  S  S61  1  0.083317  0.040710  0.389714  1
  S  S62  1  0.166505  0.166374  0.388340  1
  S  S63  1  0.249820  0.291776  0.388062  1
  S  S64  1  0.333020  0.416965  0.387992  1
  S  S65  1  0.416247  0.541938  0.387828  1
  S  S66  1  0.499582  0.666749  0.387653  1
  S  S67  1  0.583353  0.791601  0.387872  1
  S  S68  1  0.667175  0.916362  0.388636  1
  S  S69  1  0.249358  0.040727  0.389466  1
  S  S70  1  0.333072  0.166354  0.388310  1
  S  S71  1  0.416507  0.291609  0.387959  1
  S  S72  1  0.499879  0.416703  0.387714  1
  S  S73  1  0.583325  0.541725  0.387451  1
  S  S74  1  0.667046  0.666731  0.387732  1
  S  S75  1  0.751255  0.791598  0.389055  1
  S  S76  1  0.834762  0.915856  0.390851  1
  S  S77  1  0.416157  0.041187  0.388897  1
  S  S78  1  0.499881  0.166409  0.388253  1
  S  S79  1  0.583339  0.291564  0.387978  1
  S  S80  1  0.666764  0.416699  0.387726  1
  S  S81  1  0.750359  0.541950  0.387908  1
  S  S82  1  0.834298  0.667136  0.389393  1
  S  S83  1  0.920628  0.791901  0.392729  1
  S  S84  1  0.001582  0.913596  0.393385  1
  S  S85  1  0.583332  0.041323  0.388530  1
  S  S86  1  0.666790  0.166389  0.388262  1
  S  S87  1  0.750148  0.291619  0.387967  1
  S  S88  1  0.833615  0.416995  0.388016  1
  S  S89  1  0.917342  0.542713  0.389238  1
  S  S90  1  0.002192  0.669520  0.392797  1
  S  S91  1  0.750508  0.041155  0.388863  1
  S  S92  1  0.833589  0.166337  0.388325  1
  S  S93  1  0.916807  0.291753  0.388068  1
  S  S94  1  0.000148  0.417317  0.388682  1
  S  S95  1  0.917280  0.040707  0.389512  1
  S  S96  1  0.000109  0.166369  0.388365  1
  S  S97  1  0.083276  0.791628  0.620172  1
  S  S98  1  0.166878  0.917496  0.615260  1
  S  S99  1  0.083218  0.541049  0.611845  1
  S  S100  1  0.167291  0.665964  0.615098  1
  S  S101  1  0.251020  0.791361  0.615153  1
  S  S102  1  0.334193  0.916941  0.612032  1
  S  S103  1  0.083322  0.291680  0.609679  1
  S  S104  1  0.166736  0.416546  0.610179  1
  S  S105  1  0.250331  0.541624  0.610582  1
  S  S106  1  0.333636  0.666560  0.610634  1
  S  S107  1  0.416978  0.791254  0.610333  1
  S  S108  1  0.500300  0.916442  0.610123  1
  S  S109  1  0.083327  0.041950  0.611053  1
  S  S110  1  0.166607  0.166792  0.609813  1
  S  S111  1  0.249931  0.291733  0.609484  1
  S  S112  1  0.333347  0.416809  0.609396  1
  S  S113  1  0.416734  0.541719  0.609331  1
  S  S114  1  0.500067  0.666588  0.609168  1
  S  S115  1  0.583311  0.791356  0.609326  1
  S  S116  1  0.666394  0.916418  0.610099  1
  S  S117  1  0.249824  0.041933  0.610806  1
  S  S118  1  0.333198  0.166714  0.609675  1
  S  S119  1  0.416566  0.291747  0.609313  1
  S  S120  1  0.499954  0.416809  0.609104  1
  S  S121  1  0.583300  0.541765  0.608962  1
  S  S122  1  0.666478  0.666577  0.609272  1
  S  S123  1  0.749705  0.791270  0.610441  1
  S  S124  1  0.832589  0.916763  0.611787  1
  S  S125  1  0.416804  0.041736  0.610308  1
  S  S126  1  0.499967  0.166677  0.609608  1
  S  S127  1  0.583336  0.291735  0.609290  1
  S  S128  1  0.666678  0.416786  0.609120  1
  S  S129  1  0.749857  0.541682  0.609425  1
  S  S130  1  0.832970  0.666530  0.610786  1
  S  S131  1  0.916008  0.791251  0.615010  1
  S  S132  1  -0.000402  0.917429  0.615134  1
  S  S133  1  0.583352  0.041551  0.609889  1
  S  S134  1  0.666703  0.166652  0.609599  1
  S  S135  1  0.750080  0.291752  0.609325  1
  S  S136  1  0.833296  0.416811  0.609425  1
  S  S137  1  0.916283  0.541722  0.610650  1
  S  S138  1  -0.000708  0.666407  0.615097  1
  S  S139  1  0.749862  0.041675  0.610275  1
  S  S140  1  0.833437  0.166700  0.609699  1
  S  S141  1  0.916700  0.291711  0.609491  1
  S  S142  1  -0.000166  0.416542  0.610171  1
  S  S143  1  0.916706  0.041899  0.610857  1
  S  S144  1  0.000031  0.166794  0.609842  1
