# generated using pymatgen
data_SrW48S95
_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   SrW48S95
_chemical_formula_sum   'Sr1 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
  Sr  Sr1  1  0.083333  0.792199  0.304564  1
  W  W2  1  0.003384  0.751652  0.514319  1
  W  W3  1  0.083333  0.871672  0.514319  1
  W  W4  1  -0.000009  0.500822  0.500818  1
  W  W5  1  0.083333  0.627029  0.506609  1
  W  W6  1  0.163282  0.751652  0.514319  1
  W  W7  1  0.247980  0.873961  0.506443  1
  W  W8  1  0.000101  0.250320  0.498482  1
  W  W9  1  0.083333  0.375618  0.499188  1
  W  W10  1  0.166675  0.500822  0.500818  1
  W  W11  1  0.249395  0.626075  0.501917  1
  W  W12  1  0.331995  0.749859  0.501767  1
  W  W13  1  0.416061  0.874476  0.500724  1
  W  W14  1  0.000789  -0.000875  0.502084  1
  W  W15  1  0.083333  0.125120  0.499421  1
  W  W16  1  0.166566  0.250320  0.498482  1
  W  W17  1  0.249863  0.375422  0.498529  1
  W  W18  1  0.333110  0.500451  0.498652  1
  W  W19  1  0.416540  0.624989  0.498747  1
  W  W20  1  0.499620  0.749736  0.498700  1
  W  W21  1  0.583333  0.874624  0.499201  1
  W  W22  1  0.165878  -0.000874  0.502084  1
  W  W23  1  0.249587  0.124800  0.499256  1
  W  W24  1  0.333096  0.250078  0.498185  1
  W  W25  1  0.416550  0.375102  0.497691  1
  W  W26  1  0.499943  0.499981  0.497500  1
  W  W27  1  0.583333  0.624867  0.497704  1
  W  W28  1  0.667046  0.749737  0.498700  1
  W  W29  1  0.750606  0.874476  0.500723  1
  W  W30  1  0.332575  -0.000391  0.500986  1
  W  W31  1  0.416361  0.124749  0.498971  1
  W  W32  1  0.499887  0.249869  0.497943  1
  W  W33  1  0.583333  0.374944  0.497404  1
  W  W34  1  0.666723  0.499982  0.497500  1
  W  W35  1  0.750127  0.624989  0.498747  1
  W  W36  1  0.834672  0.749859  0.501767  1
  W  W37  1  0.918686  0.873961  0.506443  1
  W  W38  1  0.499714  -0.000417  0.499554  1
  W  W39  1  0.583333  0.124724  0.498665  1
  W  W40  1  0.666780  0.249869  0.497944  1
  W  W41  1  0.750117  0.375102  0.497691  1
  W  W42  1  0.833557  0.500452  0.498652  1
  W  W43  1  0.917272  0.626075  0.501917  1
  W  W44  1  0.666953  -0.000417  0.499554  1
  W  W45  1  0.750306  0.124749  0.498971  1
  W  W46  1  0.833571  0.250078  0.498185  1
  W  W47  1  0.916803  0.375422  0.498529  1
  W  W48  1  0.834091  -0.000391  0.500986  1
  W  W49  1  0.917080  0.124800  0.499256  1
  S  S50  1  0.163387  0.911629  0.396058  1
  S  S51  1  0.083333  0.544541  0.392457  1
  S  S52  1  0.163106  0.671680  0.396104  1
  S  S53  1  0.243128  0.791765  0.395974  1
  S  S54  1  0.330591  0.915277  0.392433  1
  S  S55  1  0.083333  0.292342  0.387900  1
  S  S56  1  0.166358  0.417955  0.388791  1
  S  S57  1  0.248943  0.543264  0.389732  1
  S  S58  1  0.331994  0.667271  0.390052  1
  S  S59  1  0.414751  0.791535  0.389663  1
  S  S60  1  0.499155  0.916127  0.389142  1
  S  S61  1  0.083333  0.040674  0.390469  1
  S  S62  1  0.166517  0.166524  0.388223  1
  S  S63  1  0.249740  0.292020  0.387579  1
  S  S64  1  0.332892  0.417177  0.387515  1
  S  S65  1  0.416132  0.541954  0.387395  1
  S  S66  1  0.499547  0.666748  0.387447  1
  S  S67  1  0.583333  0.791522  0.388149  1
  S  S68  1  0.667511  0.916127  0.389141  1
  S  S69  1  0.248929  0.040344  0.390093  1
  S  S70  1  0.332903  0.166223  0.388121  1
  S  S71  1  0.416421  0.291521  0.387172  1
  S  S72  1  0.499840  0.416605  0.386682  1
  S  S73  1  0.583333  0.541661  0.386653  1
  S  S74  1  0.667120  0.666748  0.387447  1
  S  S75  1  0.751915  0.791535  0.389663  1
  S  S76  1  0.836076  0.915277  0.392433  1
  S  S77  1  0.415755  0.040822  0.389218  1
  S  S78  1  0.499750  0.166110  0.387821  1
  S  S79  1  0.583333  0.291321  0.387022  1
  S  S80  1  0.666827  0.416605  0.386682  1
  S  S81  1  0.750535  0.541954  0.387395  1
  S  S82  1  0.834673  0.667272  0.390052  1
  S  S83  1  0.923538  0.791765  0.395974  1
  S  S84  1  0.003280  0.911629  0.396058  1
  S  S85  1  0.583333  0.040984  0.388615  1
  S  S86  1  0.666917  0.166110  0.387821  1
  S  S87  1  0.750246  0.291521  0.387172  1
  S  S88  1  0.833774  0.417178  0.387515  1
  S  S89  1  0.917723  0.543264  0.389732  1
  S  S90  1  0.003561  0.671681  0.396103  1
  S  S91  1  0.750912  0.040822  0.389217  1
  S  S92  1  0.833763  0.166223  0.388121  1
  S  S93  1  0.916926  0.292020  0.387579  1
  S  S94  1  0.000309  0.417955  0.388791  1
  S  S95  1  0.917737  0.040344  0.390093  1
  S  S96  1  0.000150  0.166524  0.388224  1
  S  S97  1  0.083333  0.791682  0.628561  1
  S  S98  1  0.166413  0.918001  0.618449  1
  S  S99  1  0.083333  0.541062  0.613062  1
  S  S100  1  0.168158  0.666194  0.618525  1
  S  S101  1  0.251240  0.790750  0.618356  1
  S  S102  1  0.333986  0.916826  0.612918  1
  S  S103  1  0.083333  0.291951  0.609395  1
  S  S104  1  0.166907  0.416648  0.610224  1
  S  S105  1  0.250728  0.541741  0.611085  1
  S  S106  1  0.334207  0.666233  0.611292  1
  S  S107  1  0.416998  0.790973  0.610899  1
  S  S108  1  0.500234  0.916321  0.610394  1
  S  S109  1  0.083333  0.042553  0.611657  1
  S  S110  1  0.166618  0.167221  0.609745  1
  S  S111  1  0.250005  0.291934  0.609072  1
  S  S112  1  0.333558  0.416765  0.608924  1
  S  S113  1  0.417048  0.541439  0.609007  1
  S  S114  1  0.500307  0.666279  0.609037  1
  S  S115  1  0.583333  0.791125  0.609334  1
  S  S116  1  0.666433  0.916321  0.610394  1
  S  S117  1  0.249585  0.042148  0.611338  1
  S  S118  1  0.333155  0.166934  0.609404  1
  S  S119  1  0.416643  0.291795  0.608601  1
  S  S120  1  0.500082  0.416612  0.608226  1
  S  S121  1  0.583333  0.541440  0.608265  1
  S  S122  1  0.666360  0.666279  0.609037  1
  S  S123  1  0.749669  0.790973  0.610899  1
  S  S124  1  0.832681  0.916826  0.612918  1
  S  S125  1  0.416679  0.041771  0.610443  1
  S  S126  1  0.499970  0.166745  0.609155  1
  S  S127  1  0.583333  0.291707  0.608438  1
  S  S128  1  0.666585  0.416612  0.608226  1
  S  S129  1  0.749618  0.541439  0.609007  1
  S  S130  1  0.832460  0.666233  0.611292  1
  S  S131  1  0.915426  0.790750  0.618356  1
  S  S132  1  0.000254  0.918001  0.618449  1
  S  S133  1  0.583333  0.041585  0.609800  1
  S  S134  1  0.666697  0.166745  0.609154  1
  S  S135  1  0.750024  0.291795  0.608601  1
  S  S136  1  0.833109  0.416765  0.608924  1
  S  S137  1  0.915941  0.541741  0.611085  1
  S  S138  1  -0.001492  0.666194  0.618524  1
  S  S139  1  0.749988  0.041770  0.610442  1
  S  S140  1  0.833512  0.166934  0.609404  1
  S  S141  1  0.916661  0.291934  0.609072  1
  S  S142  1  -0.000241  0.416648  0.610224  1
  S  S143  1  0.917081  0.042148  0.611338  1
  S  S144  1  0.000048  0.167221  0.609745  1
