# 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  0.791645  0.334867  1
  W  W2  1  0.000980  0.750491  0.504068  1
  W  W3  1  0.083333  0.874041  0.504044  1
  W  W4  1  -0.000010  0.500138  0.500294  1
  W  W5  1  0.083333  0.625744  0.501646  1
  W  W6  1  0.165687  0.750491  0.504068  1
  W  W7  1  0.249248  0.874649  0.501633  1
  W  W8  1  -0.000008  0.249996  0.499899  1
  W  W9  1  0.083333  0.375068  0.499950  1
  W  W10  1  0.166677  0.500138  0.500294  1
  W  W11  1  0.249752  0.625250  0.500745  1
  W  W12  1  0.332937  0.750036  0.500732  1
  W  W13  1  0.416523  0.874937  0.500246  1
  W  W14  1  0.000153  -0.000288  0.500744  1
  W  W15  1  0.083333  0.124955  0.500059  1
  W  W16  1  0.166674  0.249996  0.499899  1
  W  W17  1  0.249989  0.375042  0.499894  1
  W  W18  1  0.333239  0.500100  0.499951  1
  W  W19  1  0.416598  0.625008  0.500033  1
  W  W20  1  0.499872  0.750009  0.499872  1
  W  W21  1  0.583333  0.875012  0.499833  1
  W  W22  1  0.166514  -0.000288  0.500744  1
  W  W23  1  0.249936  0.124886  0.499959  1
  W  W24  1  0.333327  0.249983  0.499885  1
  W  W25  1  0.416655  0.375011  0.499909  1
  W  W26  1  0.499977  0.499975  0.499927  1
  W  W27  1  0.583333  0.624994  0.499887  1
  W  W28  1  0.666794  0.750009  0.499872  1
  W  W29  1  0.750144  0.874937  0.500246  1
  W  W30  1  0.333177  -0.000041  0.500288  1
  W  W31  1  0.416640  0.124981  0.499915  1
  W  W32  1  0.500001  0.249999  0.499945  1
  W  W33  1  0.583333  0.374974  0.499953  1
  W  W34  1  0.666690  0.499975  0.499927  1
  W  W35  1  0.750069  0.625008  0.500033  1
  W  W36  1  0.833729  0.750036  0.500732  1
  W  W37  1  0.917418  0.874649  0.501633  1
  W  W38  1  0.499945  -0.000004  0.499917  1
  W  W39  1  0.583333  0.125018  0.499904  1
  W  W40  1  0.666666  0.249999  0.499945  1
  W  W41  1  0.750012  0.375011  0.499909  1
  W  W42  1  0.833428  0.500100  0.499951  1
  W  W43  1  0.916915  0.625250  0.500745  1
  W  W44  1  0.666722  -0.000004  0.499917  1
  W  W45  1  0.750026  0.124981  0.499915  1
  W  W46  1  0.833340  0.249983  0.499885  1
  W  W47  1  0.916678  0.375042  0.499894  1
  W  W48  1  0.833489  -0.000041  0.500288  1
  W  W49  1  0.916731  0.124886  0.499959  1
  S  S50  1  0.165704  0.914974  0.390933  1
  S  S51  1  0.083333  0.542413  0.390249  1
  S  S52  1  0.165430  0.668237  0.390948  1
  S  S53  1  0.247791  0.791819  0.390951  1
  S  S54  1  0.332565  0.916319  0.390220  1
  S  S55  1  0.083333  0.291704  0.389198  1
  S  S56  1  0.166629  0.416881  0.389291  1
  S  S57  1  0.249706  0.542087  0.389535  1
  S  S58  1  0.332945  0.666829  0.389798  1
  S  S59  1  0.416078  0.791662  0.389520  1
  S  S60  1  0.499778  0.916615  0.389262  1
  S  S61  1  0.083333  0.041325  0.389810  1
  S  S62  1  0.166644  0.166576  0.389225  1
  S  S63  1  0.250003  0.291677  0.389157  1
  S  S64  1  0.333303  0.416750  0.389180  1
  S  S65  1  0.416592  0.541697  0.389219  1
  S  S66  1  0.499894  0.666662  0.389198  1
  S  S67  1  0.583333  0.791651  0.389148  1
  S  S68  1  0.666888  0.916615  0.389262  1
  S  S69  1  0.249698  0.041250  0.389535  1
  S  S70  1  0.333273  0.166585  0.389182  1
  S  S71  1  0.416678  0.291659  0.389174  1
  S  S72  1  0.500006  0.416635  0.389179  1
  S  S73  1  0.583333  0.541627  0.389199  1
  S  S74  1  0.666773  0.666662  0.389198  1
  S  S75  1  0.750589  0.791662  0.389520  1
  S  S76  1  0.834101  0.916319  0.390220  1
  S  S77  1  0.416464  0.041556  0.389289  1
  S  S78  1  0.499985  0.166670  0.389173  1
  S  S79  1  0.583333  0.291648  0.389189  1
  S  S80  1  0.666661  0.416635  0.389179  1
  S  S81  1  0.750075  0.541697  0.389219  1
  S  S82  1  0.833722  0.666829  0.389798  1
  S  S83  1  0.918876  0.791819  0.390951  1
  S  S84  1  0.000963  0.914974  0.390933  1
  S  S85  1  0.583333  0.041663  0.389186  1
  S  S86  1  0.666682  0.166670  0.389173  1
  S  S87  1  0.749988  0.291659  0.389174  1
  S  S88  1  0.833363  0.416750  0.389180  1
  S  S89  1  0.916961  0.542087  0.389535  1
  S  S90  1  0.001237  0.668237  0.390948  1
  S  S91  1  0.750203  0.041556  0.389289  1
  S  S92  1  0.833394  0.166585  0.389182  1
  S  S93  1  0.916663  0.291677  0.389157  1
  S  S94  1  0.000037  0.416881  0.389291  1
  S  S95  1  0.916968  0.041250  0.389535  1
  S  S96  1  0.000023  0.166576  0.389225  1
  S  S97  1  0.083333  0.791675  0.614103  1
  S  S98  1  0.166610  0.916963  0.613026  1
  S  S99  1  0.083333  0.541573  0.611233  1
  S  S100  1  0.166966  0.666556  0.613036  1
  S  S101  1  0.250247  0.791491  0.613022  1
  S  S102  1  0.333412  0.916726  0.611214  1
  S  S103  1  0.083333  0.291676  0.610626  1
  S  S104  1  0.166694  0.416631  0.610744  1
  S  S105  1  0.250093  0.541661  0.611010  1
  S  S106  1  0.333416  0.666599  0.611043  1
  S  S107  1  0.416712  0.791588  0.610951  1
  S  S108  1  0.500052  0.916679  0.610679  1
  S  S109  1  0.083333  0.041776  0.611062  1
  S  S110  1  0.166687  0.166679  0.610696  1
  S  S111  1  0.250024  0.291679  0.610623  1
  S  S112  1  0.333329  0.416696  0.610617  1
  S  S113  1  0.416657  0.541634  0.610694  1
  S  S114  1  0.500004  0.666675  0.610639  1
  S  S115  1  0.583333  0.791655  0.610488  1
  S  S116  1  0.666615  0.916679  0.610679  1
  S  S117  1  0.249941  0.041745  0.611012  1
  S  S118  1  0.333307  0.166646  0.610621  1
  S  S119  1  0.416657  0.291664  0.610659  1
  S  S120  1  0.499992  0.416631  0.610685  1
  S  S121  1  0.583333  0.541640  0.610642  1
  S  S122  1  0.666662  0.666675  0.610639  1
  S  S123  1  0.749955  0.791588  0.610951  1
  S  S124  1  0.833255  0.916725  0.611214  1
  S  S125  1  0.416688  0.041711  0.610740  1
  S  S126  1  0.499988  0.166664  0.610665  1
  S  S127  1  0.583333  0.291646  0.610711  1
  S  S128  1  0.666675  0.416631  0.610685  1
  S  S129  1  0.750010  0.541634  0.610694  1
  S  S130  1  0.833251  0.666599  0.611043  1
  S  S131  1  0.916419  0.791491  0.613022  1
  S  S132  1  0.000057  0.916963  0.613026  1
  S  S133  1  0.583333  0.041678  0.610607  1
  S  S134  1  0.666679  0.166664  0.610665  1
  S  S135  1  0.750009  0.291664  0.610659  1
  S  S136  1  0.833338  0.416696  0.610617  1
  S  S137  1  0.916573  0.541661  0.611010  1
  S  S138  1  -0.000300  0.666556  0.613036  1
  S  S139  1  0.749978  0.041711  0.610740  1
  S  S140  1  0.833360  0.166646  0.610621  1
  S  S141  1  0.916643  0.291679  0.610623  1
  S  S142  1  -0.000028  0.416631  0.610744  1
  S  S143  1  0.916725  0.041745  0.611012  1
  S  S144  1  -0.000020  0.166679  0.610696  1
