# 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  0.084604  0.876224  0.500001  1
  W  W2  1  -0.000000  0.496419  0.499999  1
  W  W3  1  0.079002  0.621454  0.500000  1
  W  W4  1  0.169044  0.754804  0.499998  1
  W  W5  1  0.251884  0.876623  0.499997  1
  W  W6  1  -0.000000  0.249062  0.499999  1
  W  W7  1  0.083500  0.373464  0.499996  1
  W  W8  1  0.167625  0.498300  0.499997  1
  W  W9  1  0.248436  0.625898  0.499998  1
  W  W10  1  0.334477  0.751485  0.499997  1
  W  W11  1  0.417276  0.876551  0.499995  1
  W  W12  1  -0.000000  -0.000364  0.500003  1
  W  W13  1  0.083501  0.124743  0.500002  1
  W  W14  1  0.167075  0.249537  0.499997  1
  W  W15  1  0.250410  0.374561  0.499996  1
  W  W16  1  0.332980  0.500827  0.500000  1
  W  W17  1  0.416322  0.626046  0.499999  1
  W  W18  1  0.500000  0.751239  0.499998  1
  W  W19  1  0.582723  0.876551  0.499994  1
  W  W20  1  0.168043  0.001072  0.500002  1
  W  W21  1  0.250636  0.125546  0.499999  1
  W  W22  1  0.333696  0.250518  0.500000  1
  W  W23  1  0.416746  0.375894  0.500002  1
  W  W24  1  0.500000  0.500973  0.500003  1
  W  W25  1  0.583678  0.626046  0.500001  1
  W  W26  1  0.665522  0.751486  0.499999  1
  W  W27  1  0.748115  0.876624  0.499998  1
  W  W28  1  0.334125  0.001430  0.499998  1
  W  W29  1  0.417003  0.126160  0.499998  1
  W  W30  1  0.500000  0.251037  0.500002  1
  W  W31  1  0.583255  0.375894  0.500004  1
  W  W32  1  0.667021  0.500827  0.500006  1
  W  W33  1  0.751565  0.625898  0.500002  1
  W  W34  1  0.830956  0.754804  0.500001  1
  W  W35  1  0.915395  0.876224  0.500001  1
  W  W36  1  0.500000  0.001400  0.499994  1
  W  W37  1  0.582997  0.126160  0.499997  1
  W  W38  1  0.666304  0.250517  0.500003  1
  W  W39  1  0.749591  0.374560  0.500003  1
  W  W40  1  0.832376  0.498300  0.500003  1
  W  W41  1  0.920998  0.621454  0.500002  1
  W  W42  1  0.665874  0.001430  0.499997  1
  W  W43  1  0.749364  0.125546  0.500000  1
  W  W44  1  0.832925  0.249537  0.500000  1
  W  W45  1  0.916500  0.373464  0.499998  1
  W  W46  1  0.831956  0.001072  0.500001  1
  W  W47  1  0.916499  0.124743  0.500002  1
  S  S48  1  0.086786  0.793536  0.391054  1
  S  S49  1  0.168108  0.918099  0.389349  1
  S  S50  1  0.083646  0.538225  0.389781  1
  S  S51  1  0.163457  0.669016  0.392021  1
  S  S52  1  0.252691  0.793849  0.388411  1
  S  S53  1  0.334415  0.918334  0.388919  1
  S  S54  1  0.083511  0.290463  0.389174  1
  S  S55  1  0.167027  0.415282  0.389155  1
  S  S56  1  0.249418  0.542504  0.389353  1
  S  S57  1  0.332357  0.667608  0.389815  1
  S  S58  1  0.417320  0.793084  0.389103  1
  S  S59  1  0.500000  0.918216  0.388940  1
  S  S60  1  0.083529  0.041490  0.389426  1
  S  S61  1  0.166892  0.166416  0.389228  1
  S  S62  1  0.250315  0.291472  0.389125  1
  S  S63  1  0.333309  0.417365  0.389401  1
  S  S64  1  0.416445  0.542683  0.389498  1
  S  S65  1  0.500000  0.667660  0.389463  1
  S  S66  1  0.582681  0.793084  0.389104  1
  S  S67  1  0.665585  0.918334  0.388924  1
  S  S68  1  0.250824  0.042626  0.388892  1
  S  S69  1  0.333704  0.167413  0.389125  1
  S  S70  1  0.416765  0.292623  0.389245  1
  S  S71  1  0.500000  0.417714  0.389299  1
  S  S72  1  0.583556  0.542684  0.389497  1
  S  S73  1  0.667643  0.667609  0.389815  1
  S  S74  1  0.747309  0.793850  0.388416  1
  S  S75  1  0.831891  0.918098  0.389354  1
  S  S76  1  0.417046  0.043045  0.389038  1
  S  S77  1  0.500000  0.167899  0.389084  1
  S  S78  1  0.583235  0.292622  0.389242  1
  S  S79  1  0.666692  0.417365  0.389400  1
  S  S80  1  0.750583  0.542505  0.389352  1
  S  S81  1  0.836543  0.669017  0.392022  1
  S  S82  1  0.913213  0.793536  0.391058  1
  S  S83  1  -0.000001  0.916104  0.389700  1
  S  S84  1  0.582954  0.043044  0.389038  1
  S  S85  1  0.666296  0.167413  0.389124  1
  S  S86  1  0.749685  0.291471  0.389122  1
  S  S87  1  0.832974  0.415283  0.389153  1
  S  S88  1  0.916354  0.538225  0.389780  1
  S  S89  1  0.000000  0.650735  0.369494  1
  S  S90  1  0.749175  0.042625  0.388894  1
  S  S91  1  0.833109  0.166416  0.389227  1
  S  S92  1  0.916489  0.290463  0.389172  1
  S  S93  1  0.000000  0.414099  0.388552  1
  S  S94  1  0.916470  0.041489  0.389427  1
  S  S95  1  -0.000000  0.165975  0.389197  1
  S  S96  1  0.086788  0.793536  0.608939  1
  S  S97  1  0.168108  0.918097  0.610644  1
  S  S98  1  0.083646  0.538225  0.610221  1
  S  S99  1  0.163458  0.669018  0.607976  1
  S  S100  1  0.252690  0.793849  0.611581  1
  S  S101  1  0.334413  0.918333  0.611079  1
  S  S102  1  0.083511  0.290463  0.610827  1
  S  S103  1  0.167027  0.415282  0.610846  1
  S  S104  1  0.249418  0.542505  0.610648  1
  S  S105  1  0.332357  0.667609  0.610181  1
  S  S106  1  0.417319  0.793083  0.610895  1
  S  S107  1  0.499999  0.918214  0.611066  1
  S  S108  1  0.083530  0.041489  0.610572  1
  S  S109  1  0.166891  0.166417  0.610773  1
  S  S110  1  0.250315  0.291472  0.610877  1
  S  S111  1  0.333309  0.417365  0.610601  1
  S  S112  1  0.416444  0.542686  0.610502  1
  S  S113  1  0.500000  0.667660  0.610534  1
  S  S114  1  0.582680  0.793083  0.610897  1
  S  S115  1  0.665585  0.918333  0.611083  1
  S  S116  1  0.250824  0.042625  0.611110  1
  S  S117  1  0.333703  0.167414  0.610880  1
  S  S118  1  0.416765  0.292622  0.610758  1
  S  S119  1  0.500000  0.417715  0.610703  1
  S  S120  1  0.583556  0.542686  0.610502  1
  S  S121  1  0.667642  0.667609  0.610182  1
  S  S122  1  0.747309  0.793849  0.611584  1
  S  S123  1  0.831892  0.918098  0.610649  1
  S  S124  1  0.417045  0.043044  0.610968  1
  S  S125  1  0.500000  0.167900  0.610920  1
  S  S126  1  0.583235  0.292621  0.610758  1
  S  S127  1  0.666692  0.417364  0.610600  1
  S  S128  1  0.750583  0.542505  0.610647  1
  S  S129  1  0.836543  0.669018  0.607978  1
  S  S130  1  0.913212  0.793536  0.608943  1
  S  S131  1  0.000001  0.916104  0.610296  1
  S  S132  1  0.582954  0.043045  0.610969  1
  S  S133  1  0.666297  0.167414  0.610880  1
  S  S134  1  0.749685  0.291472  0.610875  1
  S  S135  1  0.832974  0.415282  0.610845  1
  S  S136  1  0.916354  0.538226  0.610223  1
  S  S137  1  0.000000  0.650735  0.630507  1
  S  S138  1  0.749176  0.042626  0.611112  1
  S  S139  1  0.833109  0.166417  0.610773  1
  S  S140  1  0.916488  0.290463  0.610826  1
  S  S141  1  -0.000000  0.414099  0.611447  1
  S  S142  1  0.916471  0.041489  0.610573  1
  S  S143  1  0.000000  0.165976  0.610803  1
  S  S144  1  0.000000  0.710650  0.500001  1
