# generated using pymatgen
data_SnW48S95
_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   SnW48S95
_chemical_formula_sum   'Sn1 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
  Sn  Sn1  1  0.083333  0.792118  0.325914  1
  W  W2  1  0.003007  0.751559  0.509888  1
  W  W3  1  0.083333  0.872106  0.509883  1
  W  W4  1  -0.000049  0.500750  0.500527  1
  W  W5  1  0.083333  0.627224  0.504543  1
  W  W6  1  0.163659  0.751559  0.509888  1
  W  W7  1  0.247962  0.873968  0.504335  1
  W  W8  1  0.000041  0.250360  0.498982  1
  W  W9  1  0.083333  0.375699  0.499528  1
  W  W10  1  0.166716  0.500750  0.500527  1
  W  W11  1  0.249599  0.625905  0.500880  1
  W  W12  1  0.332374  0.749809  0.500661  1
  W  W13  1  0.416290  0.874522  0.500190  1
  W  W14  1  0.000643  -0.000595  0.500802  1
  W  W15  1  0.083333  0.125325  0.499219  1
  W  W16  1  0.166625  0.250360  0.498982  1
  W  W17  1  0.249934  0.375436  0.499275  1
  W  W18  1  0.333262  0.500372  0.499207  1
  W  W19  1  0.416754  0.624845  0.498967  1
  W  W20  1  0.499802  0.749645  0.498767  1
  W  W21  1  0.583333  0.874603  0.499236  1
  W  W22  1  0.166024  -0.000595  0.500802  1
  W  W23  1  0.249691  0.124909  0.499243  1
  W  W24  1  0.333208  0.250086  0.499138  1
  W  W25  1  0.416643  0.375026  0.499081  1
  W  W26  1  0.499965  0.499888  0.498693  1
  W  W27  1  0.583333  0.624791  0.498371  1
  W  W28  1  0.666865  0.749645  0.498767  1
  W  W29  1  0.750376  0.874522  0.500189  1
  W  W30  1  0.332805  -0.000275  0.500416  1
  W  W31  1  0.416463  0.124736  0.499536  1
  W  W32  1  0.499894  0.249815  0.499360  1
  W  W33  1  0.583333  0.374868  0.499057  1
  W  W34  1  0.666702  0.499888  0.498693  1
  W  W35  1  0.749912  0.624845  0.498967  1
  W  W36  1  0.834293  0.749809  0.500661  1
  W  W37  1  0.918704  0.873968  0.504335  1
  W  W38  1  0.499755  -0.000436  0.499742  1
  W  W39  1  0.583333  0.124672  0.499596  1
  W  W40  1  0.666773  0.249815  0.499360  1
  W  W41  1  0.750024  0.375026  0.499082  1
  W  W42  1  0.833405  0.500372  0.499207  1
  W  W43  1  0.917068  0.625905  0.500880  1
  W  W44  1  0.666912  -0.000436  0.499742  1
  W  W45  1  0.750204  0.124736  0.499536  1
  W  W46  1  0.833459  0.250086  0.499138  1
  W  W47  1  0.916733  0.375436  0.499275  1
  W  W48  1  0.833862  -0.000275  0.500416  1
  W  W49  1  0.916976  0.124909  0.499243  1
  S  S50  1  0.164510  0.912866  0.393819  1
  S  S51  1  0.083333  0.544033  0.391545  1
  S  S52  1  0.163855  0.670300  0.393903  1
  S  S53  1  0.245059  0.791990  0.393810  1
  S  S54  1  0.331220  0.915557  0.391354  1
  S  S55  1  0.083332  0.292411  0.388435  1
  S  S56  1  0.166529  0.417690  0.389028  1
  S  S57  1  0.249375  0.542688  0.389513  1
  S  S58  1  0.332642  0.666911  0.389498  1
  S  S59  1  0.415532  0.791540  0.389179  1
  S  S60  1  0.499452  0.916286  0.388990  1
  S  S61  1  0.083333  0.041256  0.389643  1
  S  S62  1  0.166649  0.166821  0.388305  1
  S  S63  1  0.250019  0.292045  0.388334  1
  S  S64  1  0.333241  0.416961  0.388459  1
  S  S65  1  0.416469  0.541627  0.388040  1
  S  S66  1  0.499790  0.666496  0.387732  1
  S  S67  1  0.583333  0.791466  0.388119  1
  S  S68  1  0.667215  0.916286  0.388990  1
  S  S69  1  0.249431  0.040849  0.389491  1
  S  S70  1  0.333229  0.166482  0.388616  1
  S  S71  1  0.416662  0.291565  0.388421  1
  S  S72  1  0.499988  0.416422  0.388129  1
  S  S73  1  0.583333  0.541372  0.387721  1
  S  S74  1  0.666877  0.666496  0.387732  1
  S  S75  1  0.751135  0.791540  0.389179  1
  S  S76  1  0.835447  0.915556  0.391355  1
  S  S77  1  0.416170  0.041108  0.389215  1
  S  S78  1  0.499936  0.166312  0.388806  1
  S  S79  1  0.583334  0.291341  0.388589  1
  S  S80  1  0.666679  0.416422  0.388129  1
  S  S81  1  0.750198  0.541626  0.388040  1
  S  S82  1  0.834025  0.666911  0.389498  1
  S  S83  1  0.921607  0.791990  0.393810  1
  S  S84  1  0.002157  0.912866  0.393819  1
  S  S85  1  0.583333  0.041166  0.389063  1
  S  S86  1  0.666731  0.166312  0.388806  1
  S  S87  1  0.750005  0.291565  0.388421  1
  S  S88  1  0.833425  0.416961  0.388459  1
  S  S89  1  0.917292  0.542688  0.389513  1
  S  S90  1  0.002812  0.670300  0.393903  1
  S  S91  1  0.750497  0.041108  0.389215  1
  S  S92  1  0.833438  0.166482  0.388616  1
  S  S93  1  0.916648  0.292045  0.388334  1
  S  S94  1  0.000137  0.417690  0.389028  1
  S  S95  1  0.917236  0.040849  0.389490  1
  S  S96  1  0.000017  0.166821  0.388305  1
  S  S97  1  0.083333  0.791780  0.623501  1
  S  S98  1  0.165960  0.917749  0.615921  1
  S  S99  1  0.083333  0.541669  0.612021  1
  S  S100  1  0.168048  0.666864  0.616068  1
  S  S101  1  0.250689  0.790611  0.615893  1
  S  S102  1  0.333622  0.916643  0.611729  1
  S  S103  1  0.083333  0.292033  0.609797  1
  S  S104  1  0.166831  0.416931  0.610541  1
  S  S105  1  0.250517  0.541975  0.610898  1
  S  S106  1  0.334033  0.666369  0.610766  1
  S  S107  1  0.416905  0.791037  0.610445  1
  S  S108  1  0.500133  0.916196  0.610411  1
  S  S109  1  0.083333  0.042405  0.610836  1
  S  S110  1  0.166588  0.167079  0.609883  1
  S  S111  1  0.249955  0.291923  0.609819  1
  S  S112  1  0.333451  0.416897  0.609880  1
  S  S113  1  0.416948  0.541610  0.609803  1
  S  S114  1  0.500206  0.666338  0.609465  1
  S  S115  1  0.583333  0.791116  0.609511  1
  S  S116  1  0.666533  0.916196  0.610411  1
  S  S117  1  0.249574  0.041961  0.610765  1
  S  S118  1  0.333068  0.166712  0.609936  1
  S  S119  1  0.416531  0.291690  0.609976  1
  S  S120  1  0.500028  0.416642  0.609733  1
  S  S121  1  0.583333  0.541542  0.609320  1
  S  S122  1  0.666460  0.666338  0.609465  1
  S  S123  1  0.749761  0.791037  0.610445  1
  S  S124  1  0.833045  0.916643  0.611729  1
  S  S125  1  0.416563  0.041555  0.610619  1
  S  S126  1  0.499912  0.166480  0.610231  1
  S  S127  1  0.583333  0.291538  0.610015  1
  S  S128  1  0.666639  0.416642  0.609733  1
  S  S129  1  0.749718  0.541610  0.609803  1
  S  S130  1  0.832634  0.666369  0.610766  1
  S  S131  1  0.915978  0.790611  0.615893  1
  S  S132  1  0.000707  0.917749  0.615921  1
  S  S133  1  0.583333  0.041294  0.610314  1
  S  S134  1  0.666754  0.166480  0.610230  1
  S  S135  1  0.750136  0.291690  0.609976  1
  S  S136  1  0.833216  0.416897  0.609880  1
  S  S137  1  0.916149  0.541975  0.610898  1
  S  S138  1  -0.001382  0.666864  0.616068  1
  S  S139  1  0.750104  0.041555  0.610619  1
  S  S140  1  0.833599  0.166712  0.609936  1
  S  S141  1  0.916712  0.291923  0.609819  1
  S  S142  1  -0.000164  0.416931  0.610541  1
  S  S143  1  0.917093  0.041961  0.610765  1
  S  S144  1  0.000079  0.167079  0.609883  1
