# generated using pymatgen
data_CuW48S95
_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   CuW48S95
_chemical_formula_sum   'Cu1 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
  Cu  Cu1  1  0.083333  0.791734  0.370859  1
  W  W2  1  0.001120  0.750641  0.505929  1
  W  W3  1  0.083333  0.873907  0.505917  1
  W  W4  1  0.000017  0.500718  0.500198  1
  W  W5  1  0.083333  0.626842  0.502805  1
  W  W6  1  0.165546  0.750641  0.505929  1
  W  W7  1  0.248311  0.874143  0.502723  1
  W  W8  1  0.000065  0.250110  0.499172  1
  W  W9  1  0.083333  0.375454  0.499520  1
  W  W10  1  0.166649  0.500718  0.500198  1
  W  W11  1  0.249552  0.625737  0.500417  1
  W  W12  1  0.332535  0.750043  0.500278  1
  W  W13  1  0.416219  0.874614  0.500012  1
  W  W14  1  0.000410  -0.000645  0.500433  1
  W  W15  1  0.083333  0.124858  0.499343  1
  W  W16  1  0.166602  0.250110  0.499172  1
  W  W17  1  0.249884  0.375322  0.499354  1
  W  W18  1  0.333155  0.500435  0.499312  1
  W  W19  1  0.416498  0.625144  0.499080  1
  W  W20  1  0.499758  0.749886  0.498928  1
  W  W21  1  0.583333  0.874716  0.499291  1
  W  W22  1  0.166257  -0.000645  0.500433  1
  W  W23  1  0.249703  0.124713  0.499408  1
  W  W24  1  0.333153  0.249947  0.499339  1
  W  W25  1  0.416540  0.375121  0.499287  1
  W  W26  1  0.499937  0.500124  0.498948  1
  W  W27  1  0.583333  0.625068  0.498642  1
  W  W28  1  0.666909  0.749885  0.498928  1
  W  W29  1  0.750447  0.874614  0.500012  1
  W  W30  1  0.332787  -0.000385  0.500215  1
  W  W31  1  0.416444  0.124694  0.499629  1
  W  W32  1  0.499912  0.249848  0.499576  1
  W  W33  1  0.583333  0.375007  0.499302  1
  W  W34  1  0.666730  0.500124  0.498948  1
  W  W35  1  0.750168  0.625144  0.499080  1
  W  W36  1  0.834132  0.750043  0.500278  1
  W  W37  1  0.918355  0.874143  0.502723  1
  W  W38  1  0.499792  -0.000402  0.499758  1
  W  W39  1  0.583333  0.124665  0.499715  1
  W  W40  1  0.666755  0.249847  0.499575  1
  W  W41  1  0.750127  0.375121  0.499287  1
  W  W42  1  0.833512  0.500435  0.499312  1
  W  W43  1  0.917115  0.625737  0.500417  1
  W  W44  1  0.666874  -0.000402  0.499758  1
  W  W45  1  0.750223  0.124694  0.499629  1
  W  W46  1  0.833513  0.249947  0.499338  1
  W  W47  1  0.916783  0.375322  0.499354  1
  W  W48  1  0.833879  -0.000385  0.500215  1
  W  W49  1  0.916963  0.124713  0.499408  1
  S  S50  1  0.165080  0.914000  0.391831  1
  S  S51  1  0.083333  0.543517  0.390656  1
  S  S52  1  0.164759  0.669298  0.391855  1
  S  S53  1  0.246515  0.791854  0.391799  1
  S  S54  1  0.331697  0.915776  0.390561  1
  S  S55  1  0.083333  0.292052  0.388634  1
  S  S56  1  0.166535  0.417496  0.389043  1
  S  S57  1  0.249457  0.542581  0.389221  1
  S  S58  1  0.332650  0.667030  0.389101  1
  S  S59  1  0.415679  0.791624  0.388950  1
  S  S60  1  0.499505  0.916318  0.388983  1
  S  S61  1  0.083333  0.041063  0.389256  1
  S  S62  1  0.166597  0.166536  0.388567  1
  S  S63  1  0.249934  0.291869  0.388634  1
  S  S64  1  0.333167  0.416988  0.388680  1
  S  S65  1  0.416406  0.541851  0.388335  1
  S  S66  1  0.499740  0.666714  0.388038  1
  S  S67  1  0.583333  0.791581  0.388279  1
  S  S68  1  0.667161  0.916318  0.388983  1
  S  S69  1  0.249482  0.040863  0.389266  1
  S  S70  1  0.333165  0.166383  0.388841  1
  S  S71  1  0.416600  0.291582  0.388852  1
  S  S72  1  0.499938  0.416627  0.388564  1
  S  S73  1  0.583333  0.541665  0.388112  1
  S  S74  1  0.666927  0.666714  0.388038  1
  S  S75  1  0.750988  0.791624  0.388951  1
  S  S76  1  0.834969  0.915776  0.390561  1
  S  S77  1  0.416196  0.041106  0.389238  1
  S  S78  1  0.499912  0.166329  0.389092  1
  S  S79  1  0.583333  0.291458  0.388963  1
  S  S80  1  0.666728  0.416627  0.388564  1
  S  S81  1  0.750261  0.541851  0.388335  1
  S  S82  1  0.834017  0.667030  0.389102  1
  S  S83  1  0.920152  0.791854  0.391800  1
  S  S84  1  0.001587  0.913999  0.391831  1
  S  S85  1  0.583333  0.041230  0.389161  1
  S  S86  1  0.666755  0.166328  0.389092  1
  S  S87  1  0.750067  0.291582  0.388852  1
  S  S88  1  0.833499  0.416988  0.388680  1
  S  S89  1  0.917210  0.542581  0.389221  1
  S  S90  1  0.001908  0.669299  0.391856  1
  S  S91  1  0.750470  0.041106  0.389238  1
  S  S92  1  0.833502  0.166383  0.388841  1
  S  S93  1  0.916732  0.291869  0.388634  1
  S  S94  1  0.000131  0.417496  0.389043  1
  S  S95  1  0.917185  0.040863  0.389266  1
  S  S96  1  0.000069  0.166536  0.388567  1
  S  S97  1  0.083333  0.791730  0.616847  1
  S  S98  1  0.165996  0.917128  0.614415  1
  S  S99  1  0.083333  0.541996  0.611423  1
  S  S100  1  0.167483  0.667064  0.614448  1
  S  S101  1  0.250209  0.790919  0.614373  1
  S  S102  1  0.333230  0.916432  0.611320  1
  S  S103  1  0.083333  0.291844  0.609851  1
  S  S104  1  0.166690  0.416963  0.610327  1
  S  S105  1  0.250224  0.542087  0.610687  1
  S  S106  1  0.333552  0.666677  0.610598  1
  S  S107  1  0.416677  0.791247  0.610411  1
  S  S108  1  0.499995  0.916218  0.610325  1
  S  S109  1  0.083333  0.041791  0.610729  1
  S  S110  1  0.166546  0.166737  0.609931  1
  S  S111  1  0.249861  0.291820  0.609872  1
  S  S112  1  0.333270  0.416967  0.609913  1
  S  S113  1  0.416729  0.541868  0.609808  1
  S  S114  1  0.500070  0.666616  0.609563  1
  S  S115  1  0.583333  0.791308  0.609637  1
  S  S116  1  0.666672  0.916218  0.610325  1
  S  S117  1  0.249593  0.041624  0.610694  1
  S  S118  1  0.333038  0.166542  0.610032  1
  S  S119  1  0.416470  0.291700  0.609969  1
  S  S120  1  0.499951  0.416842  0.609778  1
  S  S121  1  0.583333  0.541841  0.609463  1
  S  S122  1  0.666596  0.666616  0.609563  1
  S  S123  1  0.749990  0.791247  0.610411  1
  S  S124  1  0.833437  0.916432  0.611320  1
  S  S125  1  0.416481  0.041389  0.610481  1
  S  S126  1  0.499867  0.166431  0.610214  1
  S  S127  1  0.583333  0.291642  0.610061  1
  S  S128  1  0.666715  0.416842  0.609778  1
  S  S129  1  0.749938  0.541868  0.609808  1
  S  S130  1  0.833115  0.666677  0.610597  1
  S  S131  1  0.916458  0.790919  0.614373  1
  S  S132  1  0.000671  0.917128  0.614415  1
  S  S133  1  0.583333  0.041261  0.610324  1
  S  S134  1  0.666800  0.166430  0.610214  1
  S  S135  1  0.750197  0.291700  0.609969  1
  S  S136  1  0.833396  0.416967  0.609913  1
  S  S137  1  0.916443  0.542087  0.610687  1
  S  S138  1  -0.000816  0.667064  0.614448  1
  S  S139  1  0.750185  0.041389  0.610481  1
  S  S140  1  0.833628  0.166542  0.610032  1
  S  S141  1  0.916805  0.291820  0.609872  1
  S  S142  1  -0.000024  0.416963  0.610327  1
  S  S143  1  0.917073  0.041624  0.610694  1
  S  S144  1  0.000120  0.166737  0.609931  1
