# 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  0.791654  0.345252  1
  W  W2  1  -0.000529  0.749741  0.501422  1
  W  W3  1  0.083333  0.875508  0.501417  1
  W  W4  1  0.000104  0.499423  0.500553  1
  W  W5  1  0.083333  0.624423  0.500747  1
  W  W6  1  0.167196  0.749741  0.501422  1
  W  W7  1  0.250510  0.875292  0.500722  1
  W  W8  1  -0.000032  0.249562  0.499857  1
  W  W9  1  0.083333  0.374443  0.499943  1
  W  W10  1  0.166563  0.499423  0.500553  1
  W  W11  1  0.249721  0.624644  0.501360  1
  W  W12  1  0.333526  0.750447  0.501327  1
  W  W13  1  0.416972  0.875441  0.500479  1
  W  W14  1  -0.000479  -0.000100  0.501374  1
  W  W15  1  0.083333  0.124622  0.500477  1
  W  W16  1  0.166698  0.249562  0.499857  1
  W  W17  1  0.249969  0.374639  0.499892  1
  W  W18  1  0.333145  0.499857  0.500197  1
  W  W19  1  0.416506  0.625197  0.500441  1
  W  W20  1  0.500014  0.750404  0.500115  1
  W  W21  1  0.583333  0.875405  0.499944  1
  W  W22  1  0.167146  -0.000100  0.501374  1
  W  W23  1  0.250215  0.124798  0.500204  1
  W  W24  1  0.333400  0.249834  0.499812  1
  W  W25  1  0.416619  0.374975  0.499822  1
  W  W26  1  0.499921  0.500132  0.499870  1
  W  W27  1  0.583333  0.625277  0.499900  1
  W  W28  1  0.666653  0.750404  0.500115  1
  W  W29  1  0.749695  0.875441  0.500479  1
  W  W30  1  0.333788  0.000187  0.500549  1
  W  W31  1  0.416843  0.125113  0.499927  1
  W  W32  1  0.500043  0.250110  0.499827  1
  W  W33  1  0.583333  0.375100  0.499819  1
  W  W34  1  0.666746  0.500132  0.499870  1
  W  W35  1  0.750161  0.625197  0.500441  1
  W  W36  1  0.833141  0.750447  0.501327  1
  W  W37  1  0.916156  0.875292  0.500722  1
  W  W38  1  0.500171  0.000339  0.499917  1
  W  W39  1  0.583333  0.125246  0.499798  1
  W  W40  1  0.666624  0.250110  0.499827  1
  W  W41  1  0.750048  0.374975  0.499822  1
  W  W42  1  0.833522  0.499857  0.500197  1
  W  W43  1  0.916946  0.624644  0.501360  1
  W  W44  1  0.666496  0.000339  0.499917  1
  W  W45  1  0.749824  0.125113  0.499927  1
  W  W46  1  0.833267  0.249834  0.499812  1
  W  W47  1  0.916697  0.374639  0.499892  1
  W  W48  1  0.832879  0.000187  0.500549  1
  W  W49  1  0.916452  0.124798  0.500204  1
  S  S50  1  0.166341  0.915930  0.390159  1
  S  S51  1  0.083333  0.541349  0.389944  1
  S  S52  1  0.166103  0.667227  0.390200  1
  S  S53  1  0.249143  0.791816  0.390146  1
  S  S54  1  0.333483  0.916852  0.389852  1
  S  S55  1  0.083333  0.291181  0.389123  1
  S  S56  1  0.166598  0.416394  0.389343  1
  S  S57  1  0.249556  0.541730  0.389906  1
  S  S58  1  0.332667  0.667034  0.390639  1
  S  S59  1  0.416299  0.792043  0.389820  1
  S  S60  1  0.499980  0.916932  0.389251  1
  S  S61  1  0.083333  0.040884  0.390606  1
  S  S62  1  0.166626  0.166052  0.389456  1
  S  S63  1  0.249973  0.291350  0.389110  1
  S  S64  1  0.333178  0.416664  0.389251  1
  S  S65  1  0.416335  0.541932  0.389543  1
  S  S66  1  0.499713  0.666964  0.389491  1
  S  S67  1  0.583333  0.791966  0.389285  1
  S  S68  1  0.666687  0.916932  0.389251  1
  S  S69  1  0.250061  0.041220  0.389864  1
  S  S70  1  0.333334  0.166450  0.389203  1
  S  S71  1  0.416648  0.291657  0.389115  1
  S  S72  1  0.499937  0.416803  0.389175  1
  S  S73  1  0.583333  0.541896  0.389229  1
  S  S74  1  0.666954  0.666964  0.389491  1
  S  S75  1  0.750368  0.792043  0.389820  1
  S  S76  1  0.833184  0.916852  0.389852  1
  S  S77  1  0.416696  0.041766  0.389281  1
  S  S78  1  0.500006  0.166818  0.389084  1
  S  S79  1  0.583333  0.291799  0.389125  1
  S  S80  1  0.666730  0.416803  0.389175  1
  S  S81  1  0.750331  0.541932  0.389543  1
  S  S82  1  0.834000  0.667034  0.390639  1
  S  S83  1  0.917524  0.791816  0.390146  1
  S  S84  1  0.000325  0.915930  0.390159  1
  S  S85  1  0.583333  0.041928  0.389014  1
  S  S86  1  0.666661  0.166818  0.389084  1
  S  S87  1  0.750018  0.291657  0.389115  1
  S  S88  1  0.833488  0.416664  0.389251  1
  S  S89  1  0.917111  0.541730  0.389905  1
  S  S90  1  0.000564  0.667227  0.390200  1
  S  S91  1  0.749971  0.041766  0.389281  1
  S  S92  1  0.833333  0.166450  0.389203  1
  S  S93  1  0.916694  0.291350  0.389110  1
  S  S94  1  0.000068  0.416394  0.389343  1
  S  S95  1  0.916606  0.041220  0.389864  1
  S  S96  1  0.000041  0.166052  0.389456  1
  S  S97  1  0.083333  0.791651  0.609115  1
  S  S98  1  0.167527  0.916695  0.611883  1
  S  S99  1  0.083333  0.541103  0.611491  1
  S  S100  1  0.166298  0.665959  0.611850  1
  S  S101  1  0.250499  0.792303  0.611849  1
  S  S102  1  0.333757  0.916948  0.611525  1
  S  S103  1  0.083333  0.291136  0.610542  1
  S  S104  1  0.166626  0.416008  0.610832  1
  S  S105  1  0.249892  0.541167  0.611387  1
  S  S106  1  0.333323  0.666724  0.611442  1
  S  S107  1  0.417050  0.792090  0.611331  1
  S  S108  1  0.500281  0.917115  0.610857  1
  S  S109  1  0.083333  0.041523  0.611516  1
  S  S110  1  0.166767  0.166402  0.610843  1
  S  S111  1  0.250011  0.291326  0.610518  1
  S  S112  1  0.333269  0.416440  0.610638  1
  S  S113  1  0.416590  0.541682  0.610748  1
  S  S114  1  0.500049  0.666944  0.610703  1
  S  S115  1  0.583333  0.792040  0.610708  1
  S  S116  1  0.666386  0.917115  0.610857  1
  S  S117  1  0.250471  0.041763  0.611460  1
  S  S118  1  0.333502  0.166647  0.610712  1
  S  S119  1  0.416648  0.291662  0.610521  1
  S  S120  1  0.499953  0.416764  0.610484  1
  S  S121  1  0.583333  0.541855  0.610433  1
  S  S122  1  0.666617  0.666944  0.610703  1
  S  S123  1  0.749616  0.792090  0.611331  1
  S  S124  1  0.832909  0.916948  0.611525  1
  S  S125  1  0.417077  0.041950  0.610920  1
  S  S126  1  0.500080  0.166851  0.610614  1
  S  S127  1  0.583333  0.291810  0.610580  1
  S  S128  1  0.666713  0.416764  0.610484  1
  S  S129  1  0.750077  0.541682  0.610748  1
  S  S130  1  0.833344  0.666724  0.611442  1
  S  S131  1  0.916168  0.792303  0.611849  1
  S  S132  1  -0.000861  0.916695  0.611883  1
  S  S133  1  0.583333  0.042018  0.610642  1
  S  S134  1  0.666586  0.166851  0.610614  1
  S  S135  1  0.750018  0.291662  0.610521  1
  S  S136  1  0.833397  0.416440  0.610638  1
  S  S137  1  0.916775  0.541167  0.611387  1
  S  S138  1  0.000369  0.665959  0.611850  1
  S  S139  1  0.749590  0.041950  0.610920  1
  S  S140  1  0.833165  0.166647  0.610712  1
  S  S141  1  0.916655  0.291326  0.610518  1
  S  S142  1  0.000041  0.416008  0.610832  1
  S  S143  1  0.916196  0.041763  0.611460  1
  S  S144  1  -0.000100  0.166402  0.610843  1
