# generated using pymatgen
data_RuW47S96
_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   RuW47S96
_chemical_formula_sum   'Ru1 W47 S96'
_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
  Ru  Ru1  1  -0.000013  0.737744  0.500003  1
  W  W2  1  0.083143  0.879394  0.499994  1
  W  W3  1  0.000000  0.498004  0.499995  1
  W  W4  1  0.083568  0.623419  0.499994  1
  W  W5  1  0.168336  0.750012  0.499999  1
  W  W6  1  0.249400  0.875531  0.499998  1
  W  W7  1  -0.000000  0.249671  0.500000  1
  W  W8  1  0.083466  0.374240  0.499998  1
  W  W9  1  0.166719  0.499463  0.499996  1
  W  W10  1  0.249179  0.625318  0.499997  1
  W  W11  1  0.332641  0.751250  0.500003  1
  W  W12  1  0.416751  0.875509  0.500002  1
  W  W13  1  0.000001  0.001176  0.499987  1
  W  W14  1  0.083589  0.125409  0.499993  1
  W  W15  1  0.166914  0.249691  0.499996  1
  W  W16  1  0.250481  0.374902  0.500000  1
  W  W17  1  0.333473  0.500039  0.500000  1
  W  W18  1  0.416483  0.625618  0.500001  1
  W  W19  1  0.500000  0.750683  0.500005  1
  W  W20  1  0.583250  0.875508  0.500000  1
  W  W21  1  0.167113  -0.000248  0.499990  1
  W  W22  1  0.250270  0.125190  0.499990  1
  W  W23  1  0.333539  0.250075  0.499993  1
  W  W24  1  0.416619  0.375382  0.499999  1
  W  W25  1  0.500000  0.500604  0.499999  1
  W  W26  1  0.583518  0.625618  0.499999  1
  W  W27  1  0.667359  0.751248  0.499999  1
  W  W28  1  0.750599  0.875532  0.499991  1
  W  W29  1  0.333503  0.000350  0.499992  1
  W  W30  1  0.416757  0.125260  0.499985  1
  W  W31  1  0.500000  0.250267  0.499990  1
  W  W32  1  0.583380  0.375382  0.500000  1
  W  W33  1  0.666527  0.500040  0.499999  1
  W  W34  1  0.750822  0.625318  0.499994  1
  W  W35  1  0.831671  0.750013  0.499995  1
  W  W36  1  0.916856  0.879397  0.499992  1
  W  W37  1  0.500000  0.000320  0.499992  1
  W  W38  1  0.583242  0.125260  0.499986  1
  W  W39  1  0.666460  0.250076  0.499996  1
  W  W40  1  0.749518  0.374902  0.500004  1
  W  W41  1  0.833280  0.499462  0.499997  1
  W  W42  1  0.916435  0.623419  0.499994  1
  W  W43  1  0.666497  0.000350  0.499988  1
  W  W44  1  0.749730  0.125189  0.499990  1
  W  W45  1  0.833085  0.249690  0.500001  1
  W  W46  1  0.916533  0.374239  0.500001  1
  W  W47  1  0.832886  -0.000247  0.499987  1
  W  W48  1  0.916412  0.125409  0.499994  1
  S  S49  1  0.078337  0.790587  0.395943  1
  S  S50  1  0.166974  0.917057  0.387848  1
  S  S51  1  0.083210  0.540230  0.389616  1
  S  S52  1  0.166028  0.666936  0.389662  1
  S  S53  1  0.249479  0.792574  0.388585  1
  S  S54  1  0.333227  0.916996  0.389700  1
  S  S55  1  0.083495  0.291142  0.389388  1
  S  S56  1  0.166881  0.416182  0.389559  1
  S  S57  1  0.249983  0.541836  0.389589  1
  S  S58  1  0.332879  0.667362  0.389940  1
  S  S59  1  0.416455  0.792218  0.389489  1
  S  S60  1  0.500001  0.917075  0.389342  1
  S  S61  1  0.083757  0.042308  0.389445  1
  S  S62  1  0.166987  0.166620  0.389359  1
  S  S63  1  0.250194  0.291610  0.389527  1
  S  S64  1  0.333434  0.416869  0.389376  1
  S  S65  1  0.416569  0.542262  0.389587  1
  S  S66  1  0.500000  0.667317  0.389675  1
  S  S67  1  0.583546  0.792218  0.389491  1
  S  S68  1  0.666773  0.916995  0.389703  1
  S  S69  1  0.250140  0.041846  0.389459  1
  S  S70  1  0.333535  0.166818  0.389407  1
  S  S71  1  0.416765  0.291978  0.389503  1
  S  S72  1  0.499999  0.417150  0.389592  1
  S  S73  1  0.583431  0.542261  0.389588  1
  S  S74  1  0.667121  0.667362  0.389941  1
  S  S75  1  0.750521  0.792574  0.388589  1
  S  S76  1  0.833023  0.917057  0.387850  1
  S  S77  1  0.416756  0.041973  0.389398  1
  S  S78  1  0.500000  0.166955  0.389471  1
  S  S79  1  0.583234  0.291979  0.389501  1
  S  S80  1  0.666566  0.416868  0.389376  1
  S  S81  1  0.750017  0.541836  0.389591  1
  S  S82  1  0.833974  0.666937  0.389663  1
  S  S83  1  0.921665  0.790590  0.395944  1
  S  S84  1  0.000001  0.918748  0.389083  1
  S  S85  1  0.583245  0.041973  0.389399  1
  S  S86  1  0.666464  0.166819  0.389406  1
  S  S87  1  0.749806  0.291611  0.389525  1
  S  S88  1  0.833118  0.416182  0.389560  1
  S  S89  1  0.916789  0.540230  0.389618  1
  S  S90  1  0.000000  0.660148  0.385061  1
  S  S91  1  0.749860  0.041846  0.389460  1
  S  S92  1  0.833013  0.166620  0.389357  1
  S  S93  1  0.916505  0.291142  0.389388  1
  S  S94  1  -0.000000  0.415206  0.389107  1
  S  S95  1  0.916245  0.042308  0.389445  1
  S  S96  1  0.000000  0.166568  0.389386  1
  S  S97  1  0.078337  0.790586  0.604062  1
  S  S98  1  0.166976  0.917056  0.612160  1
  S  S99  1  0.083209  0.540228  0.610391  1
  S  S100  1  0.166029  0.666936  0.610344  1
  S  S101  1  0.249480  0.792575  0.611417  1
  S  S102  1  0.333229  0.916994  0.610299  1
  S  S103  1  0.083495  0.291144  0.610609  1
  S  S104  1  0.166881  0.416181  0.610438  1
  S  S105  1  0.249983  0.541834  0.610416  1
  S  S106  1  0.332880  0.667364  0.610063  1
  S  S107  1  0.416454  0.792219  0.610506  1
  S  S108  1  0.499999  0.917073  0.610653  1
  S  S109  1  0.083758  0.042308  0.610565  1
  S  S110  1  0.166986  0.166623  0.610647  1
  S  S111  1  0.250192  0.291611  0.610473  1
  S  S112  1  0.333433  0.416867  0.610624  1
  S  S113  1  0.416568  0.542261  0.610416  1
  S  S114  1  0.499999  0.667318  0.610325  1
  S  S115  1  0.583546  0.792219  0.610508  1
  S  S116  1  0.666770  0.916994  0.610302  1
  S  S117  1  0.250139  0.041845  0.610547  1
  S  S118  1  0.333535  0.166819  0.610606  1
  S  S119  1  0.416764  0.291980  0.610504  1
  S  S120  1  0.500000  0.417149  0.610406  1
  S  S121  1  0.583431  0.542261  0.610416  1
  S  S122  1  0.667121  0.667363  0.610066  1
  S  S123  1  0.750520  0.792574  0.611419  1
  S  S124  1  0.833023  0.917058  0.612163  1
  S  S125  1  0.416756  0.041971  0.610610  1
  S  S126  1  0.500000  0.166956  0.610543  1
  S  S127  1  0.583235  0.291979  0.610502  1
  S  S128  1  0.666566  0.416867  0.610623  1
  S  S129  1  0.750017  0.541834  0.610416  1
  S  S130  1  0.833973  0.666936  0.610347  1
  S  S131  1  0.921665  0.790590  0.604062  1
  S  S132  1  0.000001  0.918747  0.610930  1
  S  S133  1  0.583243  0.041971  0.610610  1
  S  S134  1  0.666465  0.166819  0.610604  1
  S  S135  1  0.749808  0.291610  0.610472  1
  S  S136  1  0.833119  0.416179  0.610438  1
  S  S137  1  0.916791  0.540228  0.610393  1
  S  S138  1  0.000001  0.660149  0.614949  1
  S  S139  1  0.749861  0.041846  0.610548  1
  S  S140  1  0.833014  0.166623  0.610645  1
  S  S141  1  0.916505  0.291143  0.610608  1
  S  S142  1  -0.000000  0.415202  0.610890  1
  S  S143  1  0.916243  0.042308  0.610564  1
  S  S144  1  -0.000000  0.166570  0.610614  1
