# 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  0.086776  0.877477  0.499992  1
  W  W2  1  0.000000  0.497298  0.500006  1
  W  W3  1  0.074765  0.622565  0.499999  1
  W  W4  1  0.173418  0.753269  0.499990  1
  W  W5  1  0.252157  0.876170  0.499977  1
  W  W6  1  -0.000000  0.248705  0.500004  1
  W  W7  1  0.083826  0.374004  0.500008  1
  W  W8  1  0.169510  0.497199  0.500003  1
  W  W9  1  0.252425  0.625077  0.499996  1
  W  W10  1  0.334772  0.751039  0.499984  1
  W  W11  1  0.417834  0.876633  0.499986  1
  W  W12  1  -0.000000  -0.000619  0.500006  1
  W  W13  1  0.083103  0.124969  0.500004  1
  W  W14  1  0.166999  0.249808  0.500007  1
  W  W15  1  0.249326  0.375166  0.500005  1
  W  W16  1  0.333533  0.500521  0.500003  1
  W  W17  1  0.416219  0.626223  0.500002  1
  W  W18  1  0.500000  0.751471  0.500001  1
  W  W19  1  0.582166  0.876633  0.500004  1
  W  W20  1  0.168812  0.000396  0.499993  1
  W  W21  1  0.250895  0.125538  0.500004  1
  W  W22  1  0.333198  0.249946  0.500004  1
  W  W23  1  0.417275  0.376025  0.500002  1
  W  W24  1  0.500000  0.500392  0.500010  1
  W  W25  1  0.583782  0.626222  0.500012  1
  W  W26  1  0.665229  0.751039  0.500014  1
  W  W27  1  0.747844  0.876171  0.500014  1
  W  W28  1  0.334089  0.001601  0.499991  1
  W  W29  1  0.416404  0.126147  0.500001  1
  W  W30  1  0.500000  0.250952  0.500000  1
  W  W31  1  0.582726  0.376025  0.500001  1
  W  W32  1  0.666467  0.500521  0.500011  1
  W  W33  1  0.747575  0.625077  0.500011  1
  W  W34  1  0.826583  0.753269  0.500007  1
  W  W35  1  0.913224  0.877477  0.500007  1
  W  W36  1  0.500000  0.000833  0.499998  1
  W  W37  1  0.583594  0.126147  0.499998  1
  W  W38  1  0.666802  0.249947  0.499996  1
  W  W39  1  0.750675  0.375166  0.500001  1
  W  W40  1  0.830490  0.497199  0.500008  1
  W  W41  1  0.925235  0.622565  0.500002  1
  W  W42  1  0.665911  0.001601  0.500005  1
  W  W43  1  0.749104  0.125539  0.500000  1
  W  W44  1  0.833001  0.249808  0.499999  1
  W  W45  1  0.916174  0.374004  0.500007  1
  W  W46  1  0.831188  0.000396  0.500009  1
  W  W47  1  0.916897  0.124969  0.500003  1
  S  S48  1  0.091077  0.794645  0.389121  1
  S  S49  1  0.169220  0.918081  0.388390  1
  S  S50  1  0.084863  0.538677  0.389847  1
  S  S51  1  0.164483  0.665984  0.393332  1
  S  S52  1  0.254139  0.793581  0.387329  1
  S  S53  1  0.334624  0.918194  0.389091  1
  S  S54  1  0.083336  0.290755  0.389267  1
  S  S55  1  0.166565  0.415360  0.387837  1
  S  S56  1  0.250757  0.542088  0.389296  1
  S  S57  1  0.333858  0.667642  0.388149  1
  S  S58  1  0.417368  0.793080  0.389162  1
  S  S59  1  0.500000  0.918109  0.388604  1
  S  S60  1  0.083778  0.041322  0.389907  1
  S  S61  1  0.166819  0.166440  0.389451  1
  S  S62  1  0.250078  0.291831  0.389339  1
  S  S63  1  0.333425  0.416960  0.389373  1
  S  S64  1  0.416809  0.542483  0.389494  1
  S  S65  1  0.500000  0.667671  0.389609  1
  S  S66  1  0.582632  0.793080  0.389157  1
  S  S67  1  0.665377  0.918194  0.389087  1
  S  S68  1  0.250961  0.042677  0.388798  1
  S  S69  1  0.333506  0.167289  0.388767  1
  S  S70  1  0.416489  0.292455  0.389655  1
  S  S71  1  0.500000  0.417586  0.388928  1
  S  S72  1  0.583191  0.542483  0.389493  1
  S  S73  1  0.666144  0.667642  0.388145  1
  S  S74  1  0.745863  0.793583  0.387326  1
  S  S75  1  0.830779  0.918081  0.388387  1
  S  S76  1  0.417126  0.043005  0.389214  1
  S  S77  1  0.500000  0.167694  0.389449  1
  S  S78  1  0.583511  0.292455  0.389657  1
  S  S79  1  0.666576  0.416960  0.389374  1
  S  S80  1  0.749243  0.542087  0.389295  1
  S  S81  1  0.835517  0.665985  0.393331  1
  S  S82  1  0.908923  0.794645  0.389123  1
  S  S83  1  0.000000  0.915679  0.390678  1
  S  S84  1  0.582874  0.043005  0.389212  1
  S  S85  1  0.666494  0.167289  0.388771  1
  S  S86  1  0.749921  0.291831  0.389343  1
  S  S87  1  0.833435  0.415360  0.387839  1
  S  S88  1  0.915136  0.538677  0.389847  1
  S  S89  1  -0.000001  0.650199  0.359156  1
  S  S90  1  0.749039  0.042677  0.388799  1
  S  S91  1  0.833179  0.166440  0.389457  1
  S  S92  1  0.916663  0.290755  0.389270  1
  S  S93  1  -0.000000  0.414998  0.388886  1
  S  S94  1  0.916220  0.041323  0.389908  1
  S  S95  1  -0.000001  0.165944  0.388955  1
  S  S96  1  0.091079  0.794645  0.610880  1
  S  S97  1  0.169223  0.918080  0.611613  1
  S  S98  1  0.084864  0.538677  0.610149  1
  S  S99  1  0.164484  0.665985  0.606666  1
  S  S100  1  0.254139  0.793583  0.612671  1
  S  S101  1  0.334624  0.918194  0.610907  1
  S  S102  1  0.083337  0.290754  0.610732  1
  S  S103  1  0.166564  0.415361  0.612165  1
  S  S104  1  0.250757  0.542089  0.610702  1
  S  S105  1  0.333859  0.667643  0.611847  1
  S  S106  1  0.417370  0.793081  0.610829  1
  S  S107  1  0.500001  0.918110  0.611385  1
  S  S108  1  0.083779  0.041321  0.610095  1
  S  S109  1  0.166821  0.166439  0.610547  1
  S  S110  1  0.250079  0.291830  0.610662  1
  S  S111  1  0.333425  0.416961  0.610631  1
  S  S112  1  0.416809  0.542485  0.610503  1
  S  S113  1  0.500000  0.667673  0.610377  1
  S  S114  1  0.582630  0.793081  0.610824  1
  S  S115  1  0.665374  0.918194  0.610904  1
  S  S116  1  0.250963  0.042677  0.611200  1
  S  S117  1  0.333507  0.167286  0.611228  1
  S  S118  1  0.416489  0.292454  0.610348  1
  S  S119  1  0.500000  0.417586  0.611076  1
  S  S120  1  0.583190  0.542485  0.610502  1
  S  S121  1  0.666142  0.667643  0.611843  1
  S  S122  1  0.745860  0.793581  0.612666  1
  S  S123  1  0.830779  0.918079  0.611611  1
  S  S124  1  0.417127  0.043004  0.610777  1
  S  S125  1  0.499999  0.167692  0.610549  1
  S  S126  1  0.583511  0.292455  0.610351  1
  S  S127  1  0.666575  0.416960  0.610632  1
  S  S128  1  0.749243  0.542088  0.610701  1
  S  S129  1  0.835517  0.665985  0.606666  1
  S  S130  1  0.908922  0.794644  0.610880  1
  S  S131  1  0.000000  0.915677  0.609325  1
  S  S132  1  0.582874  0.043004  0.610776  1
  S  S133  1  0.666492  0.167287  0.611231  1
  S  S134  1  0.749920  0.291832  0.610666  1
  S  S135  1  0.833436  0.415361  0.612166  1
  S  S136  1  0.915137  0.538677  0.610149  1
  S  S137  1  0.000000  0.650199  0.640843  1
  S  S138  1  0.749036  0.042676  0.611201  1
  S  S139  1  0.833179  0.166440  0.610551  1
  S  S140  1  0.916664  0.290755  0.610734  1
  S  S141  1  0.000000  0.415001  0.611112  1
  S  S142  1  0.916222  0.041322  0.610096  1
  S  S143  1  0.000000  0.165944  0.611047  1
  I  I144  1  0.000000  0.725494  0.500000  1
