# 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  0.791731  0.322784  1
  W  W2  1  0.002951  0.751615  0.510333  1
  W  W3  1  0.083333  0.872042  0.510239  1
  W  W4  1  0.000049  0.501123  0.500597  1
  W  W5  1  0.083333  0.627454  0.504842  1
  W  W6  1  0.163716  0.751615  0.510333  1
  W  W7  1  0.247861  0.873888  0.504625  1
  W  W8  1  0.000127  0.250205  0.498898  1
  W  W9  1  0.083333  0.375783  0.499477  1
  W  W10  1  0.166618  0.501123  0.500597  1
  W  W11  1  0.249466  0.626181  0.500984  1
  W  W12  1  0.332193  0.749942  0.500770  1
  W  W13  1  0.416052  0.874398  0.500294  1
  W  W14  1  0.000716  -0.000941  0.500956  1
  W  W15  1  0.083333  0.124846  0.499153  1
  W  W16  1  0.166539  0.250205  0.498898  1
  W  W17  1  0.249831  0.375558  0.499200  1
  W  W18  1  0.333071  0.500723  0.499128  1
  W  W19  1  0.416510  0.625201  0.498808  1
  W  W20  1  0.499700  0.749784  0.498653  1
  W  W21  1  0.583333  0.874481  0.499211  1
  W  W22  1  0.165951  -0.000941  0.500956  1
  W  W23  1  0.249519  0.124534  0.499213  1
  W  W24  1  0.333028  0.249928  0.499059  1
  W  W25  1  0.416474  0.375231  0.498957  1
  W  W26  1  0.499908  0.500243  0.498479  1
  W  W27  1  0.583333  0.625124  0.498143  1
  W  W28  1  0.666967  0.749785  0.498653  1
  W  W29  1  0.750614  0.874398  0.500294  1
  W  W30  1  0.332563  -0.000622  0.500527  1
  W  W31  1  0.416291  0.124480  0.499510  1
  W  W32  1  0.499844  0.249742  0.499312  1
  W  W33  1  0.583333  0.375055  0.498913  1
  W  W34  1  0.666759  0.500243  0.498479  1
  W  W35  1  0.750156  0.625201  0.498808  1
  W  W36  1  0.834474  0.749942  0.500771  1
  W  W37  1  0.918806  0.873888  0.504625  1
  W  W38  1  0.499671  -0.000701  0.499831  1
  W  W39  1  0.583333  0.124394  0.499624  1
  W  W40  1  0.666823  0.249742  0.499312  1
  W  W41  1  0.750193  0.375231  0.498957  1
  W  W42  1  0.833596  0.500723  0.499128  1
  W  W43  1  0.917200  0.626181  0.500984  1
  W  W44  1  0.666996  -0.000701  0.499831  1
  W  W45  1  0.750376  0.124480  0.499510  1
  W  W46  1  0.833639  0.249928  0.499059  1
  W  W47  1  0.916835  0.375558  0.499200  1
  W  W48  1  0.834104  -0.000622  0.500527  1
  W  W49  1  0.917148  0.124534  0.499213  1
  S  S50  1  0.164353  0.912444  0.393911  1
  S  S51  1  0.083333  0.544405  0.391633  1
  S  S52  1  0.163602  0.670689  0.394035  1
  S  S53  1  0.244673  0.792050  0.393942  1
  S  S54  1  0.331018  0.915334  0.391420  1
  S  S55  1  0.083333  0.292365  0.388555  1
  S  S56  1  0.166451  0.418011  0.389215  1
  S  S57  1  0.249154  0.543127  0.389528  1
  S  S58  1  0.332325  0.667231  0.389412  1
  S  S59  1  0.415239  0.791565  0.389142  1
  S  S60  1  0.499295  0.916037  0.389123  1
  S  S61  1  0.083333  0.040717  0.389633  1
  S  S62  1  0.166558  0.166478  0.388412  1
  S  S63  1  0.249844  0.292040  0.388546  1
  S  S64  1  0.333022  0.417257  0.388600  1
  S  S65  1  0.416230  0.542008  0.388038  1
  S  S66  1  0.499634  0.666782  0.387626  1
  S  S67  1  0.583333  0.791508  0.388039  1
  S  S68  1  0.667371  0.916037  0.389124  1
  S  S69  1  0.249206  0.040370  0.389534  1
  S  S70  1  0.333013  0.166171  0.388801  1
  S  S71  1  0.416516  0.291563  0.388781  1
  S  S72  1  0.499877  0.416692  0.388340  1
  S  S73  1  0.583333  0.541760  0.387674  1
  S  S74  1  0.667033  0.666782  0.387626  1
  S  S75  1  0.751428  0.791565  0.389142  1
  S  S76  1  0.835648  0.915334  0.391420  1
  S  S77  1  0.415957  0.040709  0.389443  1
  S  S78  1  0.499843  0.166051  0.389166  1
  S  S79  1  0.583333  0.291353  0.388946  1
  S  S80  1  0.666790  0.416692  0.388340  1
  S  S81  1  0.750437  0.542008  0.388038  1
  S  S82  1  0.834341  0.667231  0.389412  1
  S  S83  1  0.921994  0.792050  0.393942  1
  S  S84  1  0.002313  0.912444  0.393911  1
  S  S85  1  0.583333  0.040824  0.389334  1
  S  S86  1  0.666824  0.166052  0.389166  1
  S  S87  1  0.750151  0.291563  0.388781  1
  S  S88  1  0.833645  0.417257  0.388600  1
  S  S89  1  0.917513  0.543127  0.389528  1
  S  S90  1  0.003064  0.670689  0.394035  1
  S  S91  1  0.750709  0.040709  0.389443  1
  S  S92  1  0.833654  0.166171  0.388801  1
  S  S93  1  0.916823  0.292040  0.388546  1
  S  S94  1  0.000216  0.418011  0.389215  1
  S  S95  1  0.917461  0.040370  0.389534  1
  S  S96  1  0.000109  0.166478  0.388413  1
  S  S97  1  0.083333  0.791774  0.623955  1
  S  S98  1  0.165905  0.917469  0.616422  1
  S  S99  1  0.083333  0.541957  0.612291  1
  S  S100  1  0.167958  0.667049  0.616565  1
  S  S101  1  0.250586  0.790662  0.616403  1
  S  S102  1  0.333506  0.916444  0.612045  1
  S  S103  1  0.083333  0.291997  0.609506  1
  S  S104  1  0.166742  0.417175  0.610298  1
  S  S105  1  0.250404  0.542349  0.610947  1
  S  S106  1  0.333813  0.666619  0.610921  1
  S  S107  1  0.416744  0.790967  0.610551  1
  S  S108  1  0.500038  0.915919  0.610373  1
  S  S109  1  0.083333  0.041945  0.611031  1
  S  S110  1  0.166484  0.166765  0.609622  1
  S  S111  1  0.249800  0.291922  0.609450  1
  S  S112  1  0.333278  0.417181  0.609562  1
  S  S113  1  0.416792  0.541994  0.609475  1
  S  S114  1  0.500110  0.666560  0.609231  1
  S  S115  1  0.583333  0.791078  0.609433  1
  S  S116  1  0.666628  0.915919  0.610373  1
  S  S117  1  0.249370  0.041600  0.610860  1
  S  S118  1  0.332860  0.166454  0.609651  1
  S  S119  1  0.416388  0.291732  0.609444  1
  S  S120  1  0.499944  0.416973  0.609218  1
  S  S121  1  0.583333  0.541934  0.608908  1
  S  S122  1  0.666556  0.666560  0.609231  1
  S  S123  1  0.749922  0.790967  0.610551  1
  S  S124  1  0.833161  0.916444  0.612045  1
  S  S125  1  0.416382  0.041232  0.610475  1
  S  S126  1  0.499796  0.166265  0.609830  1
  S  S127  1  0.583333  0.291629  0.609503  1
  S  S128  1  0.666723  0.416973  0.609218  1
  S  S129  1  0.749874  0.541994  0.609475  1
  S  S130  1  0.832854  0.666618  0.610921  1
  S  S131  1  0.916081  0.790662  0.616403  1
  S  S132  1  0.000762  0.917469  0.616422  1
  S  S133  1  0.583333  0.040970  0.610189  1
  S  S134  1  0.666871  0.166265  0.609830  1
  S  S135  1  0.750279  0.291732  0.609444  1
  S  S136  1  0.833389  0.417181  0.609562  1
  S  S137  1  0.916263  0.542349  0.610947  1
  S  S138  1  -0.001291  0.667049  0.616565  1
  S  S139  1  0.750285  0.041232  0.610475  1
  S  S140  1  0.833807  0.166454  0.609651  1
  S  S141  1  0.916867  0.291922  0.609450  1
  S  S142  1  -0.000075  0.417175  0.610298  1
  S  S143  1  0.917296  0.041600  0.610860  1
  S  S144  1  0.000183  0.166765  0.609622  1
