# generated using pymatgen
data_W47S96Cl
_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   W47S96Cl
_chemical_formula_sum   'W47 S96 Cl1'
_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  0.091303  0.874363  0.500001  1
  W  W2  1  0.000008  0.497662  0.500002  1
  W  W3  1  0.081434  0.622077  0.500000  1
  W  W4  1  0.175143  0.751596  0.500000  1
  W  W5  1  0.254197  0.876648  0.500001  1
  W  W6  1  0.000001  0.248896  0.500003  1
  W  W7  1  0.083381  0.373602  0.500000  1
  W  W8  1  0.167407  0.498132  0.500000  1
  W  W9  1  0.250416  0.624199  0.500001  1
  W  W10  1  0.337864  0.749664  0.500001  1
  W  W11  1  0.418000  0.875693  0.500000  1
  W  W12  1  -0.000008  -0.001110  0.500004  1
  W  W13  1  0.083415  0.124091  0.500004  1
  W  W14  1  0.166650  0.249213  0.500002  1
  W  W15  1  0.250120  0.374051  0.500000  1
  W  W16  1  0.333471  0.499231  0.500001  1
  W  W17  1  0.416983  0.624113  0.500001  1
  W  W18  1  0.499997  0.749679  0.500000  1
  W  W19  1  0.581987  0.875694  0.500001  1
  W  W20  1  0.168110  0.000585  0.500002  1
  W  W21  1  0.250376  0.125306  0.500002  1
  W  W22  1  0.333451  0.249892  0.500002  1
  W  W23  1  0.416683  0.374624  0.500002  1
  W  W24  1  0.500004  0.499272  0.500001  1
  W  W25  1  0.583025  0.624113  0.500001  1
  W  W26  1  0.662132  0.749667  0.500000  1
  W  W27  1  0.745787  0.876659  0.500000  1
  W  W28  1  0.334623  0.001004  0.500000  1
  W  W29  1  0.416869  0.125638  0.500001  1
  W  W30  1  0.500004  0.250199  0.500003  1
  W  W31  1  0.583334  0.374627  0.500003  1
  W  W32  1  0.666541  0.499238  0.500001  1
  W  W33  1  0.749597  0.624205  0.500001  1
  W  W34  1  0.824851  0.751609  0.500000  1
  W  W35  1  0.908689  0.874372  0.500002  1
  W  W36  1  0.499995  0.001005  0.500000  1
  W  W37  1  0.583127  0.125641  0.500002  1
  W  W38  1  0.666553  0.249895  0.500003  1
  W  W39  1  0.749895  0.374057  0.500002  1
  W  W40  1  0.832608  0.498136  0.500000  1
  W  W41  1  0.918577  0.622082  0.499999  1
  W  W42  1  0.665367  0.001012  0.500002  1
  W  W43  1  0.749616  0.125312  0.500004  1
  W  W44  1  0.833352  0.249217  0.500003  1
  W  W45  1  0.916634  0.373605  0.500001  1
  W  W46  1  0.831875  0.000594  0.500003  1
  W  W47  1  0.916575  0.124094  0.500005  1
  S  S48  1  0.103995  0.793774  0.382603  1
  S  S49  1  0.170709  0.918325  0.388535  1
  S  S50  1  0.083820  0.538785  0.389353  1
  S  S51  1  0.166217  0.665971  0.391176  1
  S  S52  1  0.258086  0.793009  0.389089  1
  S  S53  1  0.335878  0.918150  0.388542  1
  S  S54  1  0.083280  0.290495  0.389130  1
  S  S55  1  0.166827  0.415153  0.389059  1
  S  S56  1  0.250235  0.540841  0.389246  1
  S  S57  1  0.334137  0.665811  0.389213  1
  S  S58  1  0.418873  0.792151  0.388564  1
  S  S59  1  0.499993  0.917825  0.388811  1
  S  S60  1  0.083276  0.040646  0.389377  1
  S  S61  1  0.166563  0.166071  0.389151  1
  S  S62  1  0.249960  0.290979  0.389130  1
  S  S63  1  0.333330  0.416021  0.389169  1
  S  S64  1  0.416784  0.540812  0.389185  1
  S  S65  1  0.500004  0.665868  0.389174  1
  S  S66  1  0.581120  0.792150  0.388565  1
  S  S67  1  0.664103  0.918158  0.388544  1
  S  S68  1  0.251014  0.042392  0.389105  1
  S  S69  1  0.333506  0.166936  0.389024  1
  S  S70  1  0.416670  0.291582  0.389083  1
  S  S71  1  0.500009  0.416152  0.389128  1
  S  S72  1  0.583223  0.540814  0.389185  1
  S  S73  1  0.665870  0.665812  0.389214  1
  S  S74  1  0.741903  0.793017  0.389092  1
  S  S75  1  0.829276  0.918335  0.388536  1
  S  S76  1  0.417197  0.042728  0.388855  1
  S  S77  1  0.499998  0.167212  0.389031  1
  S  S78  1  0.583340  0.291586  0.389082  1
  S  S79  1  0.666686  0.416030  0.389170  1
  S  S80  1  0.749781  0.540849  0.389247  1
  S  S81  1  0.833791  0.665983  0.391177  1
  S  S82  1  0.895989  0.793788  0.382595  1
  S  S83  1  -0.000008  0.914441  0.390996  1
  S  S84  1  0.582795  0.042733  0.388859  1
  S  S85  1  0.666488  0.166942  0.389027  1
  S  S86  1  0.750045  0.290983  0.389129  1
  S  S87  1  0.833188  0.415158  0.389059  1
  S  S88  1  0.916193  0.538788  0.389353  1
  S  S89  1  0.000006  0.661917  0.390182  1
  S  S90  1  0.748975  0.042401  0.389107  1
  S  S91  1  0.833428  0.166075  0.389152  1
  S  S92  1  0.916724  0.290499  0.389132  1
  S  S93  1  0.000010  0.414885  0.388950  1
  S  S94  1  0.916710  0.040650  0.389376  1
  S  S95  1  -0.000004  0.165602  0.389280  1
  S  S96  1  0.103994  0.793773  0.617397  1
  S  S97  1  0.170709  0.918325  0.611468  1
  S  S98  1  0.083820  0.538785  0.610642  1
  S  S99  1  0.166217  0.665970  0.608823  1
  S  S100  1  0.258087  0.793008  0.610910  1
  S  S101  1  0.335879  0.918149  0.611459  1
  S  S102  1  0.083280  0.290496  0.610867  1
  S  S103  1  0.166827  0.415154  0.610937  1
  S  S104  1  0.250235  0.540841  0.610749  1
  S  S105  1  0.334138  0.665810  0.610784  1
  S  S106  1  0.418872  0.792150  0.611435  1
  S  S107  1  0.499992  0.917825  0.611192  1
  S  S108  1  0.083276  0.040646  0.610625  1
  S  S109  1  0.166564  0.166071  0.610847  1
  S  S110  1  0.249961  0.290979  0.610866  1
  S  S111  1  0.333331  0.416021  0.610824  1
  S  S112  1  0.416785  0.540811  0.610809  1
  S  S113  1  0.500004  0.665867  0.610823  1
  S  S114  1  0.581120  0.792149  0.611435  1
  S  S115  1  0.664103  0.918157  0.611460  1
  S  S116  1  0.251015  0.042393  0.610897  1
  S  S117  1  0.333505  0.166937  0.610974  1
  S  S118  1  0.416669  0.291583  0.610912  1
  S  S119  1  0.500008  0.416152  0.610864  1
  S  S120  1  0.583222  0.540813  0.610809  1
  S  S121  1  0.665870  0.665811  0.610785  1
  S  S122  1  0.741903  0.793015  0.610908  1
  S  S123  1  0.829277  0.918334  0.611467  1
  S  S124  1  0.417197  0.042728  0.611147  1
  S  S125  1  0.499996  0.167213  0.610970  1
  S  S126  1  0.583339  0.291587  0.610914  1
  S  S127  1  0.666686  0.416030  0.610826  1
  S  S128  1  0.749781  0.540848  0.610748  1
  S  S129  1  0.833792  0.665983  0.608820  1
  S  S130  1  0.895989  0.793787  0.617405  1
  S  S131  1  -0.000008  0.914441  0.609006  1
  S  S132  1  0.582794  0.042733  0.611146  1
  S  S133  1  0.666488  0.166944  0.610975  1
  S  S134  1  0.750045  0.290984  0.610869  1
  S  S135  1  0.833188  0.415158  0.610936  1
  S  S136  1  0.916193  0.538789  0.610642  1
  S  S137  1  0.000006  0.661917  0.609814  1
  S  S138  1  0.748975  0.042402  0.610898  1
  S  S139  1  0.833427  0.166078  0.610849  1
  S  S140  1  0.916724  0.290499  0.610865  1
  S  S141  1  0.000010  0.414885  0.611046  1
  S  S142  1  0.916711  0.040651  0.610626  1
  S  S143  1  -0.000004  0.165603  0.610721  1
  Cl  Cl144  1  -0.000009  0.796312  0.500000  1
