# generated using pymatgen
data_W47S96I
_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   W47S96I
_chemical_formula_sum   'W47 S96 I1'
_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  0.087045  0.878930  0.500002  1
  W  W2  1  -0.000000  0.497376  0.500000  1
  W  W3  1  0.083245  0.619096  0.500001  1
  W  W4  1  0.174986  0.751051  0.500000  1
  W  W5  1  0.252225  0.876178  0.500000  1
  W  W6  1  -0.000000  0.249778  0.500003  1
  W  W7  1  0.083567  0.373566  0.499999  1
  W  W8  1  0.167955  0.498087  0.499999  1
  W  W9  1  0.250102  0.624300  0.499999  1
  W  W10  1  0.335258  0.749754  0.499999  1
  W  W11  1  0.417621  0.875272  0.499999  1
  W  W12  1  -0.000000  0.001188  0.500005  1
  W  W13  1  0.083478  0.125352  0.500004  1
  W  W14  1  0.167060  0.249685  0.500001  1
  W  W15  1  0.250614  0.374227  0.499998  1
  W  W16  1  0.333544  0.499225  0.499998  1
  W  W17  1  0.417305  0.624479  0.499997  1
  W  W18  1  0.500000  0.749475  0.499997  1
  W  W19  1  0.582379  0.875272  0.499999  1
  W  W20  1  0.167746  0.001501  0.500003  1
  W  W21  1  0.250424  0.125733  0.500001  1
  W  W22  1  0.333563  0.249912  0.499999  1
  W  W23  1  0.417008  0.374680  0.499997  1
  W  W24  1  0.500000  0.499491  0.499995  1
  W  W25  1  0.582695  0.624478  0.499997  1
  W  W26  1  0.664742  0.749754  0.499999  1
  W  W27  1  0.747775  0.876178  0.500001  1
  W  W28  1  0.334079  0.000846  0.500001  1
  W  W29  1  0.416981  0.125331  0.500001  1
  W  W30  1  0.500000  0.250256  0.499998  1
  W  W31  1  0.582992  0.374680  0.499997  1
  W  W32  1  0.666457  0.499225  0.499998  1
  W  W33  1  0.749898  0.624300  0.499999  1
  W  W34  1  0.825014  0.751051  0.500000  1
  W  W35  1  0.912955  0.878930  0.500002  1
  W  W36  1  0.500000  0.000526  0.500002  1
  W  W37  1  0.583019  0.125331  0.500001  1
  W  W38  1  0.666437  0.249912  0.499998  1
  W  W39  1  0.749386  0.374227  0.499998  1
  W  W40  1  0.832045  0.498087  0.499999  1
  W  W41  1  0.916755  0.619096  0.500001  1
  W  W42  1  0.665921  0.000846  0.500001  1
  W  W43  1  0.749576  0.125733  0.500001  1
  W  W44  1  0.832941  0.249685  0.500000  1
  W  W45  1  0.916433  0.373566  0.499999  1
  W  W46  1  0.832254  0.001501  0.500003  1
  W  W47  1  0.916522  0.125352  0.500004  1
  S  S48  1  0.096915  0.795984  0.384511  1
  S  S49  1  0.169492  0.919117  0.388578  1
  S  S50  1  0.084267  0.537226  0.388309  1
  S  S51  1  0.166201  0.666354  0.390710  1
  S  S52  1  0.255239  0.793150  0.387793  1
  S  S53  1  0.334997  0.917680  0.388960  1
  S  S54  1  0.083619  0.290790  0.388882  1
  S  S55  1  0.167207  0.414994  0.389045  1
  S  S56  1  0.250618  0.540923  0.389037  1
  S  S57  1  0.333981  0.665868  0.389314  1
  S  S58  1  0.417793  0.791690  0.388946  1
  S  S59  1  0.500000  0.917286  0.388786  1
  S  S60  1  0.083545  0.042370  0.389022  1
  S  S61  1  0.166827  0.166742  0.388932  1
  S  S62  1  0.250371  0.291271  0.388931  1
  S  S63  1  0.333802  0.416067  0.388981  1
  S  S64  1  0.416801  0.541072  0.389167  1
  S  S65  1  0.500000  0.666255  0.388692  1
  S  S66  1  0.582207  0.791690  0.388946  1
  S  S67  1  0.665003  0.917680  0.388960  1
  S  S68  1  0.250933  0.042802  0.388961  1
  S  S69  1  0.333809  0.166907  0.388943  1
  S  S70  1  0.416711  0.291563  0.388972  1
  S  S71  1  0.500000  0.416420  0.388910  1
  S  S72  1  0.583199  0.541072  0.389167  1
  S  S73  1  0.666019  0.665868  0.389314  1
  S  S74  1  0.744761  0.793150  0.387793  1
  S  S75  1  0.830508  0.919117  0.388578  1
  S  S76  1  0.417026  0.042267  0.388901  1
  S  S77  1  0.500000  0.167121  0.389013  1
  S  S78  1  0.583290  0.291564  0.388973  1
  S  S79  1  0.666198  0.416067  0.388981  1
  S  S80  1  0.749382  0.540923  0.389037  1
  S  S81  1  0.833799  0.666354  0.390710  1
  S  S82  1  0.903085  0.795984  0.384511  1
  S  S83  1  0.000000  0.917529  0.389362  1
  S  S84  1  0.582974  0.042267  0.388901  1
  S  S85  1  0.666191  0.166907  0.388943  1
  S  S86  1  0.749629  0.291271  0.388931  1
  S  S87  1  0.832793  0.414994  0.389045  1
  S  S88  1  0.915733  0.537226  0.388309  1
  S  S89  1  0.000000  0.659219  0.390864  1
  S  S90  1  0.749067  0.042802  0.388961  1
  S  S91  1  0.833173  0.166742  0.388932  1
  S  S92  1  0.916381  0.290790  0.388882  1
  S  S93  1  0.000000  0.414617  0.388884  1
  S  S94  1  0.916455  0.042371  0.389022  1
  S  S95  1  -0.000000  0.166764  0.389064  1
  S  S96  1  0.096916  0.795984  0.615485  1
  S  S97  1  0.169492  0.919117  0.611419  1
  S  S98  1  0.084266  0.537226  0.611692  1
  S  S99  1  0.166201  0.666354  0.609288  1
  S  S100  1  0.255238  0.793150  0.612204  1
  S  S101  1  0.334997  0.917680  0.611039  1
  S  S102  1  0.083620  0.290791  0.611119  1
  S  S103  1  0.167207  0.414994  0.610955  1
  S  S104  1  0.250617  0.540924  0.610964  1
  S  S105  1  0.333980  0.665868  0.610685  1
  S  S106  1  0.417793  0.791690  0.611053  1
  S  S107  1  0.500000  0.917285  0.611212  1
  S  S108  1  0.083546  0.042371  0.610980  1
  S  S109  1  0.166828  0.166743  0.611069  1
  S  S110  1  0.250371  0.291271  0.611070  1
  S  S111  1  0.333801  0.416067  0.611021  1
  S  S112  1  0.416801  0.541072  0.610835  1
  S  S113  1  0.500000  0.666256  0.611309  1
  S  S114  1  0.582207  0.791690  0.611053  1
  S  S115  1  0.665003  0.917680  0.611038  1
  S  S116  1  0.250933  0.042803  0.611037  1
  S  S117  1  0.333809  0.166907  0.611059  1
  S  S118  1  0.416710  0.291563  0.611030  1
  S  S119  1  0.500000  0.416421  0.611094  1
  S  S120  1  0.583199  0.541072  0.610835  1
  S  S121  1  0.666020  0.665868  0.610685  1
  S  S122  1  0.744762  0.793150  0.612204  1
  S  S123  1  0.830508  0.919116  0.611419  1
  S  S124  1  0.417025  0.042267  0.611100  1
  S  S125  1  0.500000  0.167120  0.610987  1
  S  S126  1  0.583290  0.291563  0.611031  1
  S  S127  1  0.666199  0.416068  0.611021  1
  S  S128  1  0.749383  0.540924  0.610964  1
  S  S129  1  0.833799  0.666354  0.609288  1
  S  S130  1  0.903084  0.795984  0.615485  1
  S  S131  1  0.000000  0.917528  0.610636  1
  S  S132  1  0.582974  0.042267  0.611100  1
  S  S133  1  0.666191  0.166907  0.611059  1
  S  S134  1  0.749629  0.291271  0.611069  1
  S  S135  1  0.832793  0.414994  0.610955  1
  S  S136  1  0.915734  0.537226  0.611692  1
  S  S137  1  -0.000000  0.659219  0.609135  1
  S  S138  1  0.749067  0.042803  0.611038  1
  S  S139  1  0.833172  0.166743  0.611069  1
  S  S140  1  0.916380  0.290791  0.611119  1
  S  S141  1  -0.000000  0.414617  0.611116  1
  S  S142  1  0.916454  0.042371  0.610980  1
  S  S143  1  -0.000000  0.166764  0.610934  1
  I  I144  1  -0.000000  0.767754  0.500001  1
