# generated using pymatgen
data_W48SeS95
_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   W48SeS95
_chemical_formula_sum   'W48 Se1 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  -0.000914  0.749555  0.497891  1
  W  W2  1  0.083333  0.875948  0.497892  1
  W  W3  1  -0.000044  0.499908  0.500166  1
  W  W4  1  0.083333  0.624833  0.499282  1
  W  W5  1  0.167580  0.749555  0.497891  1
  W  W6  1  0.250172  0.875101  0.499292  1
  W  W7  1  -0.000001  0.250060  0.500496  1
  W  W8  1  0.083333  0.374986  0.500435  1
  W  W9  1  0.166711  0.499908  0.500166  1
  W  W10  1  0.250223  0.624778  0.499930  1
  W  W11  1  0.333655  0.749944  0.500004  1
  W  W12  1  0.416775  0.875020  0.500334  1
  W  W13  1  -0.000105  0.000304  0.499911  1
  W  W14  1  0.083333  0.125169  0.500348  1
  W  W15  1  0.166668  0.250060  0.500496  1
  W  W16  1  0.250011  0.374983  0.500398  1
  W  W17  1  0.333410  0.499877  0.500367  1
  W  W18  1  0.416794  0.624912  0.500499  1
  W  W19  1  0.500093  0.749975  0.500746  1
  W  W20  1  0.583333  0.875017  0.500763  1
  W  W21  1  0.166771  0.000304  0.499911  1
  W  W22  1  0.250060  0.125132  0.500351  1
  W  W23  1  0.333346  0.250035  0.500291  1
  W  W24  1  0.416696  0.374958  0.500205  1
  W  W25  1  0.500028  0.499940  0.500449  1
  W  W26  1  0.583333  0.624932  0.500775  1
  W  W27  1  0.666574  0.749975  0.500746  1
  W  W28  1  0.749891  0.875019  0.500334  1
  W  W29  1  0.333403  0.000095  0.500167  1
  W  W30  1  0.416682  0.125038  0.500256  1
  W  W31  1  0.500012  0.249992  0.499996  1
  W  W32  1  0.583333  0.374956  0.500059  1
  W  W33  1  0.666638  0.499940  0.500449  1
  W  W34  1  0.749873  0.624912  0.500499  1
  W  W35  1  0.833012  0.749944  0.500004  1
  W  W36  1  0.916494  0.875101  0.499292  1
  W  W37  1  0.500034  0.000029  0.500481  1
  W  W38  1  0.583333  0.125012  0.500200  1
  W  W39  1  0.666654  0.249992  0.499996  1
  W  W40  1  0.749970  0.374958  0.500205  1
  W  W41  1  0.833256  0.499877  0.500367  1
  W  W42  1  0.916444  0.624778  0.499930  1
  W  W43  1  0.666633  0.000029  0.500481  1
  W  W44  1  0.749984  0.125038  0.500256  1
  W  W45  1  0.833321  0.250035  0.500291  1
  W  W46  1  0.916656  0.374983  0.500398  1
  W  W47  1  0.833264  0.000095  0.500167  1
  W  W48  1  0.916607  0.125132  0.500351  1
  Se  Se49  1  0.083333  0.791688  0.374791  1
  S  S50  1  0.167369  0.917588  0.388364  1
  S  S51  1  0.083333  0.541270  0.389125  1
  S  S52  1  0.167217  0.665687  0.388371  1
  S  S53  1  0.251275  0.791740  0.388384  1
  S  S54  1  0.333779  0.916842  0.389188  1
  S  S55  1  0.083333  0.291674  0.389726  1
  S  S56  1  0.166667  0.416530  0.389571  1
  S  S57  1  0.250200  0.541356  0.389397  1
  S  S58  1  0.333756  0.666477  0.389400  1
  S  S59  1  0.417141  0.791651  0.389604  1
  S  S60  1  0.500186  0.916672  0.389798  1
  S  S61  1  0.083333  0.042068  0.389317  1
  S  S62  1  0.166691  0.166822  0.389650  1
  S  S63  1  0.249944  0.291679  0.389647  1
  S  S64  1  0.333321  0.416597  0.389551  1
  S  S65  1  0.416772  0.541605  0.389688  1
  S  S66  1  0.500174  0.666648  0.389951  1
  S  S67  1  0.583333  0.791671  0.390029  1
  S  S68  1  0.666481  0.916672  0.389798  1
  S  S69  1  0.250212  0.041980  0.389388  1
  S  S70  1  0.333352  0.166739  0.389531  1
  S  S71  1  0.416599  0.291669  0.389369  1
  S  S72  1  0.499978  0.416719  0.389448  1
  S  S73  1  0.583333  0.541712  0.389817  1
  S  S74  1  0.666492  0.666648  0.389951  1
  S  S75  1  0.749525  0.791651  0.389604  1
  S  S76  1  0.832887  0.916842  0.389189  1
  S  S77  1  0.416812  0.041692  0.389553  1
  S  S78  1  0.499994  0.166600  0.389362  1
  S  S79  1  0.583333  0.291663  0.389187  1
  S  S80  1  0.666689  0.416719  0.389448  1
  S  S81  1  0.749895  0.541605  0.389688  1
  S  S82  1  0.832911  0.666477  0.389400  1
  S  S83  1  0.915391  0.791740  0.388384  1
  S  S84  1  -0.000703  0.917588  0.388365  1
  S  S85  1  0.583333  0.041600  0.389647  1
  S  S86  1  0.666673  0.166600  0.389362  1
  S  S87  1  0.750067  0.291669  0.389369  1
  S  S88  1  0.833346  0.416597  0.389551  1
  S  S89  1  0.916466  0.541356  0.389397  1
  S  S90  1  -0.000550  0.665687  0.388371  1
  S  S91  1  0.749854  0.041692  0.389553  1
  S  S92  1  0.833315  0.166739  0.389531  1
  S  S93  1  0.916723  0.291679  0.389647  1
  S  S94  1  -0.000000  0.416530  0.389572  1
  S  S95  1  0.916454  0.041980  0.389388  1
  S  S96  1  -0.000024  0.166822  0.389650  1
  S  S97  1  0.083333  0.791676  0.606395  1
  S  S98  1  0.166497  0.916549  0.609820  1
  S  S99  1  0.083333  0.541826  0.610652  1
  S  S100  1  0.166610  0.666865  0.609820  1
  S  S101  1  0.249744  0.791627  0.609838  1
  S  S102  1  0.333123  0.916621  0.610690  1
  S  S103  1  0.083333  0.291713  0.611291  1
  S  S104  1  0.166675  0.416714  0.611119  1
  S  S105  1  0.249996  0.541613  0.610963  1
  S  S106  1  0.333288  0.666648  0.610928  1
  S  S107  1  0.416589  0.791706  0.611193  1
  S  S108  1  0.499906  0.916725  0.611335  1
  S  S109  1  0.083333  0.041702  0.610852  1
  S  S110  1  0.166688  0.166707  0.611195  1
  S  S111  1  0.250063  0.291684  0.611195  1
  S  S112  1  0.333409  0.416572  0.611111  1
  S  S113  1  0.416671  0.541558  0.611228  1
  S  S114  1  0.499958  0.666602  0.611492  1
  S  S115  1  0.583333  0.791673  0.611590  1
  S  S116  1  0.666761  0.916725  0.611335  1
  S  S117  1  0.250036  0.041711  0.610952  1
  S  S118  1  0.333400  0.166732  0.611087  1
  S  S119  1  0.416775  0.291627  0.610905  1
  S  S120  1  0.500057  0.416518  0.610984  1
  S  S121  1  0.583333  0.541508  0.611367  1
  S  S122  1  0.666709  0.666602  0.611492  1
  S  S123  1  0.750077  0.791706  0.611193  1
  S  S124  1  0.833544  0.916621  0.610690  1
  S  S125  1  0.416615  0.041721  0.611074  1
  S  S126  1  0.500027  0.166741  0.610894  1
  S  S127  1  0.583333  0.291615  0.610726  1
  S  S128  1  0.666610  0.416518  0.610984  1
  S  S129  1  0.749996  0.541558  0.611228  1
  S  S130  1  0.833379  0.666648  0.610929  1
  S  S131  1  0.916923  0.791627  0.609838  1
  S  S132  1  0.000169  0.916548  0.609820  1
  S  S133  1  0.583333  0.041775  0.611194  1
  S  S134  1  0.666639  0.166741  0.610894  1
  S  S135  1  0.749891  0.291628  0.610905  1
  S  S136  1  0.833257  0.416572  0.611111  1
  S  S137  1  0.916671  0.541613  0.610963  1
  S  S138  1  0.000057  0.666865  0.609820  1
  S  S139  1  0.750052  0.041721  0.611074  1
  S  S140  1  0.833267  0.166732  0.611087  1
  S  S141  1  0.916604  0.291684  0.611195  1
  S  S142  1  -0.000009  0.416714  0.611119  1
  S  S143  1  0.916631  0.041711  0.610952  1
  S  S144  1  -0.000022  0.166707  0.611195  1
