# 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  0.792010  0.300399  1
  W  W2  1  0.003407  0.751732  0.513403  1
  W  W3  1  0.083333  0.871570  0.513422  1
  W  W4  1  0.000059  0.501068  0.500811  1
  W  W5  1  0.083333  0.627147  0.506145  1
  W  W6  1  0.163260  0.751732  0.513403  1
  W  W7  1  0.247979  0.873926  0.506101  1
  W  W8  1  0.000156  0.250178  0.498722  1
  W  W9  1  0.083333  0.375690  0.499392  1
  W  W10  1  0.166608  0.501068  0.500811  1
  W  W11  1  0.249317  0.626256  0.501638  1
  W  W12  1  0.331939  0.749942  0.501577  1
  W  W13  1  0.415938  0.874381  0.500795  1
  W  W14  1  0.000823  -0.001086  0.501872  1
  W  W15  1  0.083333  0.124783  0.499426  1
  W  W16  1  0.166511  0.250178  0.498722  1
  W  W17  1  0.249737  0.375528  0.498773  1
  W  W18  1  0.332977  0.500724  0.498754  1
  W  W19  1  0.416404  0.625258  0.498772  1
  W  W20  1  0.499577  0.749843  0.498844  1
  W  W21  1  0.583333  0.874516  0.499428  1
  W  W22  1  0.165843  -0.001086  0.501872  1
  W  W23  1  0.249446  0.124535  0.499318  1
  W  W24  1  0.332944  0.249950  0.498442  1
  W  W25  1  0.416400  0.375284  0.497992  1
  W  W26  1  0.499862  0.500293  0.497753  1
  W  W27  1  0.583333  0.625173  0.497900  1
  W  W28  1  0.667090  0.749843  0.498844  1
  W  W29  1  0.750728  0.874381  0.500795  1
  W  W30  1  0.332440  -0.000639  0.500998  1
  W  W31  1  0.416228  0.124514  0.499112  1
  W  W32  1  0.499802  0.249811  0.498213  1
  W  W33  1  0.583333  0.375106  0.497742  1
  W  W34  1  0.666804  0.500293  0.497753  1
  W  W35  1  0.750262  0.625258  0.498772  1
  W  W36  1  0.834727  0.749942  0.501577  1
  W  W37  1  0.918688  0.873926  0.506101  1
  W  W38  1  0.499640  -0.000674  0.499770  1
  W  W39  1  0.583333  0.124464  0.498900  1
  W  W40  1  0.666865  0.249811  0.498213  1
  W  W41  1  0.750267  0.375284  0.497992  1
  W  W42  1  0.833689  0.500724  0.498754  1
  W  W43  1  0.917349  0.626256  0.501638  1
  W  W44  1  0.667027  -0.000674  0.499770  1
  W  W45  1  0.750438  0.124514  0.499112  1
  W  W46  1  0.833723  0.249950  0.498442  1
  W  W47  1  0.916929  0.375528  0.498773  1
  W  W48  1  0.834227  -0.000639  0.500997  1
  W  W49  1  0.917220  0.124535  0.499318  1
  S  S50  1  0.163488  0.911560  0.395539  1
  S  S51  1  0.083333  0.544611  0.392207  1
  S  S52  1  0.163101  0.671708  0.395496  1
  S  S53  1  0.243266  0.791835  0.395483  1
  S  S54  1  0.330660  0.915175  0.392247  1
  S  S55  1  0.083333  0.292309  0.388334  1
  S  S56  1  0.166301  0.418083  0.389059  1
  S  S57  1  0.248849  0.543426  0.389645  1
  S  S58  1  0.331959  0.667423  0.389811  1
  S  S59  1  0.414782  0.791568  0.389616  1
  S  S60  1  0.499149  0.915912  0.389359  1
  S  S61  1  0.083333  0.040421  0.390231  1
  S  S62  1  0.166439  0.166330  0.388418  1
  S  S63  1  0.249612  0.292004  0.388050  1
  S  S64  1  0.332732  0.417364  0.387922  1
  S  S65  1  0.416031  0.542222  0.387609  1
  S  S66  1  0.499513  0.666963  0.387587  1
  S  S67  1  0.583333  0.791536  0.388324  1
  S  S68  1  0.667517  0.915912  0.389359  1
  S  S69  1  0.248897  0.040109  0.390038  1
  S  S70  1  0.332763  0.166043  0.388459  1
  S  S71  1  0.416267  0.291575  0.387796  1
  S  S72  1  0.499769  0.416856  0.387296  1
  S  S73  1  0.583333  0.541980  0.387079  1
  S  S74  1  0.667153  0.666963  0.387587  1
  S  S75  1  0.751885  0.791568  0.389616  1
  S  S76  1  0.836007  0.915175  0.392247  1
  S  S77  1  0.415695  0.040541  0.389450  1
  S  S78  1  0.499704  0.165921  0.388360  1
  S  S79  1  0.583333  0.291385  0.387697  1
  S  S80  1  0.666897  0.416856  0.387296  1
  S  S81  1  0.750635  0.542222  0.387609  1
  S  S82  1  0.834707  0.667423  0.389811  1
  S  S83  1  0.923401  0.791835  0.395483  1
  S  S84  1  0.003179  0.911560  0.395539  1
  S  S85  1  0.583333  0.040654  0.389052  1
  S  S86  1  0.666963  0.165921  0.388360  1
  S  S87  1  0.750400  0.291575  0.387796  1
  S  S88  1  0.833935  0.417364  0.387922  1
  S  S89  1  0.917818  0.543426  0.389645  1
  S  S90  1  0.003566  0.671708  0.395496  1
  S  S91  1  0.750971  0.040541  0.389450  1
  S  S92  1  0.833904  0.166043  0.388459  1
  S  S93  1  0.917055  0.292004  0.388050  1
  S  S94  1  0.000366  0.418083  0.389059  1
  S  S95  1  0.917769  0.040109  0.390038  1
  S  S96  1  0.000228  0.166330  0.388418  1
  S  S97  1  0.083333  0.791668  0.627704  1
  S  S98  1  0.166262  0.917670  0.618085  1
  S  S99  1  0.083333  0.541432  0.612981  1
  S  S100  1  0.167971  0.666501  0.618055  1
  S  S101  1  0.250951  0.790763  0.618001  1
  S  S102  1  0.333774  0.916606  0.612950  1
  S  S103  1  0.083333  0.291930  0.609447  1
  S  S104  1  0.166806  0.416934  0.610264  1
  S  S105  1  0.250531  0.542116  0.611036  1
  S  S106  1  0.333919  0.666464  0.611234  1
  S  S107  1  0.416789  0.790955  0.610992  1
  S  S108  1  0.500099  0.916062  0.610573  1
  S  S109  1  0.083333  0.042118  0.611575  1
  S  S110  1  0.166509  0.166893  0.609746  1
  S  S111  1  0.249867  0.291930  0.609118  1
  S  S112  1  0.333344  0.417074  0.608973  1
  S  S113  1  0.416838  0.541818  0.609063  1
  S  S114  1  0.500157  0.666490  0.609183  1
  S  S115  1  0.583333  0.791085  0.609571  1
  S  S116  1  0.666567  0.916062  0.610573  1
  S  S117  1  0.249416  0.041789  0.611315  1
  S  S118  1  0.332951  0.166649  0.609378  1
  S  S119  1  0.416469  0.291820  0.608553  1
  S  S120  1  0.499969  0.416898  0.608268  1
  S  S121  1  0.583333  0.541805  0.608346  1
  S  S122  1  0.666510  0.666490  0.609183  1
  S  S123  1  0.749878  0.790955  0.610992  1
  S  S124  1  0.832893  0.916606  0.612950  1
  S  S125  1  0.416484  0.041462  0.610466  1
  S  S126  1  0.499858  0.166505  0.609076  1
  S  S127  1  0.583333  0.291718  0.608371  1
  S  S128  1  0.666697  0.416898  0.608268  1
  S  S129  1  0.749829  0.541818  0.609063  1
  S  S130  1  0.832748  0.666464  0.611234  1
  S  S131  1  0.915716  0.790763  0.618001  1
  S  S132  1  0.000404  0.917670  0.618085  1
  S  S133  1  0.583333  0.041237  0.609872  1
  S  S134  1  0.666809  0.166505  0.609076  1
  S  S135  1  0.750197  0.291820  0.608553  1
  S  S136  1  0.833323  0.417074  0.608973  1
  S  S137  1  0.916136  0.542116  0.611036  1
  S  S138  1  -0.001304  0.666501  0.618055  1
  S  S139  1  0.750182  0.041462  0.610466  1
  S  S140  1  0.833716  0.166649  0.609378  1
  S  S141  1  0.916799  0.291930  0.609118  1
  S  S142  1  -0.000139  0.416934  0.610264  1
  S  S143  1  0.917251  0.041789  0.611315  1
  S  S144  1  0.000158  0.166893  0.609746  1
