# generated using pymatgen
data_W47S97
_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   W47S97
_chemical_formula_sum   'W47 S97'
_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
  W  W1  1  0.086331  0.877941  0.499998  1
  W  W2  1  0.000433  0.498673  0.500001  1
  W  W3  1  0.084818  0.621881  0.500001  1
  W  W4  1  0.170183  0.750384  0.500000  1
  W  W5  1  0.251034  0.875424  0.499999  1
  W  W6  1  -0.000111  0.249922  0.500002  1
  W  W7  1  0.083674  0.374387  0.500000  1
  W  W8  1  0.167487  0.498942  0.499998  1
  W  W9  1  0.251041  0.624331  0.500001  1
  W  W10  1  0.334234  0.749883  0.499999  1
  W  W11  1  0.416657  0.875268  0.500000  1
  W  W12  1  -0.000651  -0.000014  0.499999  1
  W  W13  1  0.083271  0.125201  0.500002  1
  W  W14  1  0.166672  0.249917  0.500004  1
  W  W15  1  0.250365  0.374663  0.500000  1
  W  W16  1  0.333865  0.499632  0.499997  1
  W  W17  1  0.417091  0.624626  0.500001  1
  W  W18  1  0.499560  0.749968  0.500002  1
  W  W19  1  0.582089  0.875625  0.500000  1
  W  W20  1  0.167115  0.001084  0.499998  1
  W  W21  1  0.250015  0.125626  0.500006  1
  W  W22  1  0.333426  0.250227  0.500005  1
  W  W23  1  0.416832  0.374949  0.499999  1
  W  W24  1  0.500181  0.499811  0.499997  1
  W  W25  1  0.583316  0.624944  0.500004  1
  W  W26  1  0.664720  0.750274  0.500005  1
  W  W27  1  0.747423  0.876417  0.500004  1
  W  W28  1  0.333399  0.000709  0.500000  1
  W  W29  1  0.416426  0.125477  0.500005  1
  W  W30  1  0.499806  0.250308  0.500002  1
  W  W31  1  0.583278  0.375082  0.499996  1
  W  W32  1  0.666695  0.499804  0.500000  1
  W  W33  1  0.750014  0.625383  0.500006  1
  W  W34  1  0.830075  0.753386  0.500006  1
  W  W35  1  0.911594  0.875947  0.500004  1
  W  W36  1  0.499362  0.000568  0.500000  1
  W  W37  1  0.582729  0.125581  0.500001  1
  W  W38  1  0.666226  0.250188  0.499997  1
  W  W39  1  0.749584  0.374622  0.499996  1
  W  W40  1  0.832800  0.498940  0.500002  1
  W  W41  1  0.915416  0.621061  0.500003  1
  W  W42  1  0.665342  0.000936  0.499998  1
  W  W43  1  0.749217  0.125735  0.499998  1
  W  W44  1  0.833062  0.250000  0.499998  1
  W  W45  1  0.916445  0.374369  0.499999  1
  W  W46  1  0.831851  0.001601  0.500000  1
  W  W47  1  0.916251  0.125196  0.500000  1
  S  S48  1  0.086957  0.795269  0.389773  1
  S  S49  1  0.168933  0.918420  0.388542  1
  S  S50  1  0.084210  0.539723  0.388810  1
  S  S51  1  0.167816  0.665989  0.388696  1
  S  S52  1  0.251896  0.792001  0.388779  1
  S  S53  1  0.333870  0.917309  0.389124  1
  S  S54  1  0.083349  0.291303  0.389093  1
  S  S55  1  0.167128  0.415853  0.389036  1
  S  S56  1  0.250710  0.541064  0.389143  1
  S  S57  1  0.334038  0.666304  0.389192  1
  S  S58  1  0.416894  0.791838  0.388999  1
  S  S59  1  0.499317  0.917279  0.388993  1
  S  S60  1  0.082913  0.041914  0.389327  1
  S  S61  1  0.166542  0.166817  0.389053  1
  S  S62  1  0.250070  0.291512  0.389118  1
  S  S63  1  0.333634  0.416418  0.389115  1
  S  S64  1  0.417063  0.541354  0.389104  1
  S  S65  1  0.500081  0.666490  0.389144  1
  S  S66  1  0.582035  0.792141  0.389064  1
  S  S67  1  0.664775  0.917785  0.388887  1
  S  S68  1  0.250284  0.042597  0.389081  1
  S  S69  1  0.333299  0.167113  0.389068  1
  S  S70  1  0.416673  0.291825  0.389042  1
  S  S71  1  0.500073  0.416609  0.389103  1
  S  S72  1  0.583437  0.541547  0.389262  1
  S  S73  1  0.666417  0.666747  0.389203  1
  S  S74  1  0.746292  0.793142  0.388804  1
  S  S75  1  0.830001  0.918992  0.388798  1
  S  S76  1  0.416418  0.042296  0.389009  1
  S  S77  1  0.499615  0.167142  0.389075  1
  S  S78  1  0.583103  0.291889  0.389104  1
  S  S79  1  0.666553  0.416576  0.389083  1
  S  S80  1  0.749854  0.541706  0.389349  1
  S  S81  1  0.833972  0.667718  0.390791  1
  S  S82  1  0.910294  0.794939  0.390279  1
  S  S83  1  -0.000920  0.915841  0.390770  1
  S  S84  1  0.582384  0.042428  0.389027  1
  S  S85  1  0.666021  0.167140  0.389028  1
  S  S86  1  0.749647  0.291481  0.389115  1
  S  S87  1  0.832892  0.415793  0.389128  1
  S  S88  1  0.916383  0.538831  0.388569  1
  S  S89  1  -0.001634  0.661865  0.389777  1
  S  S90  1  0.748617  0.042780  0.389065  1
  S  S91  1  0.832966  0.166872  0.389151  1
  S  S92  1  0.916502  0.291316  0.389075  1
  S  S93  1  0.000154  0.415546  0.389152  1
  S  S94  1  0.916181  0.042011  0.389165  1
  S  S95  1  -0.000210  0.166690  0.389262  1
  S  S96  1  0.086955  0.795268  0.610221  1
  S  S97  1  0.168933  0.918420  0.611457  1
  S  S98  1  0.084208  0.539723  0.611183  1
  S  S99  1  0.167816  0.665989  0.611299  1
  S  S100  1  0.251894  0.792000  0.611220  1
  S  S101  1  0.333869  0.917309  0.610874  1
  S  S102  1  0.083350  0.291304  0.610903  1
  S  S103  1  0.167128  0.415853  0.610961  1
  S  S104  1  0.250709  0.541064  0.610856  1
  S  S105  1  0.334036  0.666304  0.610809  1
  S  S106  1  0.416892  0.791839  0.611003  1
  S  S107  1  0.499315  0.917280  0.611010  1
  S  S108  1  0.082913  0.041915  0.610671  1
  S  S109  1  0.166542  0.166818  0.610941  1
  S  S110  1  0.250071  0.291511  0.610875  1
  S  S111  1  0.333633  0.416418  0.610883  1
  S  S112  1  0.417060  0.541354  0.610900  1
  S  S113  1  0.500081  0.666491  0.610862  1
  S  S114  1  0.582034  0.792140  0.610942  1
  S  S115  1  0.664775  0.917786  0.611120  1
  S  S116  1  0.250285  0.042598  0.610914  1
  S  S117  1  0.333300  0.167113  0.610922  1
  S  S118  1  0.416673  0.291823  0.610950  1
  S  S119  1  0.500072  0.416608  0.610899  1
  S  S120  1  0.583438  0.541545  0.610743  1
  S  S121  1  0.666418  0.666746  0.610800  1
  S  S122  1  0.746292  0.793142  0.611203  1
  S  S123  1  0.830001  0.918993  0.611212  1
  S  S124  1  0.416417  0.042298  0.610985  1
  S  S125  1  0.499614  0.167142  0.610916  1
  S  S126  1  0.583101  0.291888  0.610894  1
  S  S127  1  0.666552  0.416575  0.610920  1
  S  S128  1  0.749855  0.541706  0.610650  1
  S  S129  1  0.833973  0.667715  0.609209  1
  S  S130  1  0.910290  0.794940  0.609731  1
  S  S131  1  -0.000918  0.915841  0.609232  1
  S  S132  1  0.582382  0.042428  0.610975  1
  S  S133  1  0.666019  0.167141  0.610973  1
  S  S134  1  0.749646  0.291481  0.610886  1
  S  S135  1  0.832893  0.415793  0.610870  1
  S  S136  1  0.916384  0.538832  0.611424  1
  S  S137  1  -0.001634  0.661866  0.610214  1
  S  S138  1  0.748617  0.042781  0.610942  1
  S  S139  1  0.832966  0.166872  0.610852  1
  S  S140  1  0.916503  0.291316  0.610923  1
  S  S141  1  0.000154  0.415546  0.610840  1
  S  S142  1  0.916183  0.042012  0.610838  1
  S  S143  1  -0.000208  0.166690  0.610736  1
  S  S144  1  0.034372  0.732721  0.499995  1
