# generated using pymatgen
data_CrW47S96
_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   CrW47S96
_chemical_formula_sum   'Cr1 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
  Cr  Cr1  1  -0.000016  0.754789  0.500000  1
  W  W2  1  0.083907  0.874863  0.499999  1
  W  W3  1  0.000000  0.500215  0.500000  1
  W  W4  1  0.084721  0.624444  0.500000  1
  W  W5  1  0.168107  0.749169  0.499999  1
  W  W6  1  0.250281  0.874933  0.500000  1
  W  W7  1  -0.000000  0.249709  0.500000  1
  W  W8  1  0.083256  0.374762  0.500000  1
  W  W9  1  0.165788  0.500143  0.500000  1
  W  W10  1  0.249840  0.625044  0.499999  1
  W  W11  1  0.333136  0.750413  0.499999  1
  W  W12  1  0.416744  0.875098  0.499999  1
  W  W13  1  -0.000000  -0.000845  0.499999  1
  W  W14  1  0.083370  0.124558  0.500000  1
  W  W15  1  0.166606  0.249692  0.500000  1
  W  W16  1  0.249823  0.374992  0.500000  1
  W  W17  1  0.333228  0.500040  0.500000  1
  W  W18  1  0.416739  0.625185  0.500000  1
  W  W19  1  0.500000  0.750198  0.500000  1
  W  W20  1  0.583256  0.875098  0.499999  1
  W  W21  1  0.166963  -0.000473  0.499999  1
  W  W22  1  0.249938  0.124822  0.500000  1
  W  W23  1  0.333233  0.250002  0.500000  1
  W  W24  1  0.416503  0.375066  0.500000  1
  W  W25  1  0.500000  0.500287  0.500000  1
  W  W26  1  0.583262  0.625185  0.500000  1
  W  W27  1  0.666864  0.750413  0.500000  1
  W  W28  1  0.749717  0.874935  0.500000  1
  W  W29  1  0.333403  0.000001  0.500000  1
  W  W30  1  0.416760  0.124992  0.500000  1
  W  W31  1  0.500000  0.250001  0.500000  1
  W  W32  1  0.583496  0.375066  0.500000  1
  W  W33  1  0.666773  0.500041  0.500000  1
  W  W34  1  0.750164  0.625046  0.500000  1
  W  W35  1  0.831898  0.749175  0.500000  1
  W  W36  1  0.916094  0.874864  0.500000  1
  W  W37  1  0.500000  0.000075  0.500000  1
  W  W38  1  0.583239  0.124992  0.500000  1
  W  W39  1  0.666767  0.250002  0.500000  1
  W  W40  1  0.750177  0.374992  0.500000  1
  W  W41  1  0.834213  0.500143  0.500000  1
  W  W42  1  0.915287  0.624443  0.500000  1
  W  W43  1  0.666597  0.000002  0.499999  1
  W  W44  1  0.750062  0.124823  0.500000  1
  W  W45  1  0.833394  0.249692  0.500000  1
  W  W46  1  0.916743  0.374763  0.500000  1
  W  W47  1  0.833037  -0.000472  0.499999  1
  W  W48  1  0.916630  0.124558  0.499999  1
  S  S49  1  0.082434  0.790831  0.391645  1
  S  S50  1  0.166948  0.916247  0.389162  1
  S  S51  1  0.082832  0.541877  0.388668  1
  S  S52  1  0.166882  0.666532  0.389173  1
  S  S53  1  0.250006  0.791843  0.388919  1
  S  S54  1  0.333501  0.916711  0.389421  1
  S  S55  1  0.083304  0.291403  0.389461  1
  S  S56  1  0.166413  0.416734  0.389511  1
  S  S57  1  0.249743  0.541578  0.389590  1
  S  S58  1  0.333291  0.666766  0.389509  1
  S  S59  1  0.416616  0.791787  0.389402  1
  S  S60  1  0.500000  0.916771  0.389398  1
  S  S61  1  0.083331  0.041055  0.389622  1
  S  S62  1  0.166593  0.166343  0.389480  1
  S  S63  1  0.249841  0.291611  0.389531  1
  S  S64  1  0.333151  0.416726  0.389526  1
  S  S65  1  0.416557  0.541851  0.389519  1
  S  S66  1  0.500000  0.666907  0.389469  1
  S  S67  1  0.583384  0.791788  0.389402  1
  S  S68  1  0.666498  0.916713  0.389421  1
  S  S69  1  0.250028  0.041500  0.389407  1
  S  S70  1  0.333288  0.166594  0.389553  1
  S  S71  1  0.416623  0.291708  0.389549  1
  S  S72  1  0.499999  0.416833  0.389636  1
  S  S73  1  0.583444  0.541851  0.389519  1
  S  S74  1  0.666711  0.666766  0.389510  1
  S  S75  1  0.749993  0.791844  0.388921  1
  S  S76  1  0.833052  0.916248  0.389163  1
  S  S77  1  0.416678  0.041683  0.389436  1
  S  S78  1  0.500000  0.166712  0.389471  1
  S  S79  1  0.583376  0.291709  0.389549  1
  S  S80  1  0.666848  0.416727  0.389526  1
  S  S81  1  0.750260  0.541579  0.389591  1
  S  S82  1  0.833124  0.666533  0.389174  1
  S  S83  1  0.917556  0.790839  0.391633  1
  S  S84  1  0.000001  0.915774  0.389526  1
  S  S85  1  0.583321  0.041683  0.389436  1
  S  S86  1  0.666712  0.166595  0.389554  1
  S  S87  1  0.750159  0.291611  0.389531  1
  S  S88  1  0.833587  0.416734  0.389511  1
  S  S89  1  0.917169  0.541876  0.388668  1
  S  S90  1  0.000001  0.671395  0.395116  1
  S  S91  1  0.749973  0.041501  0.389407  1
  S  S92  1  0.833407  0.166343  0.389480  1
  S  S93  1  0.916696  0.291403  0.389461  1
  S  S94  1  0.000000  0.416625  0.389641  1
  S  S95  1  0.916670  0.041056  0.389622  1
  S  S96  1  -0.000001  0.166252  0.389566  1
  S  S97  1  0.082434  0.790831  0.608356  1
  S  S98  1  0.166948  0.916247  0.610839  1
  S  S99  1  0.082832  0.541877  0.611332  1
  S  S100  1  0.166882  0.666532  0.610828  1
  S  S101  1  0.250006  0.791843  0.611082  1
  S  S102  1  0.333501  0.916711  0.610579  1
  S  S103  1  0.083304  0.291403  0.610539  1
  S  S104  1  0.166414  0.416735  0.610488  1
  S  S105  1  0.249743  0.541578  0.610410  1
  S  S106  1  0.333291  0.666766  0.610491  1
  S  S107  1  0.416616  0.791787  0.610598  1
  S  S108  1  0.500000  0.916771  0.610603  1
  S  S109  1  0.083331  0.041055  0.610379  1
  S  S110  1  0.166593  0.166343  0.610520  1
  S  S111  1  0.249841  0.291611  0.610469  1
  S  S112  1  0.333151  0.416726  0.610475  1
  S  S113  1  0.416557  0.541851  0.610481  1
  S  S114  1  0.500000  0.666907  0.610531  1
  S  S115  1  0.583384  0.791788  0.610598  1
  S  S116  1  0.666498  0.916713  0.610580  1
  S  S117  1  0.250028  0.041500  0.610594  1
  S  S118  1  0.333288  0.166595  0.610447  1
  S  S119  1  0.416623  0.291708  0.610451  1
  S  S120  1  0.499999  0.416833  0.610364  1
  S  S121  1  0.583444  0.541851  0.610481  1
  S  S122  1  0.666711  0.666766  0.610490  1
  S  S123  1  0.749993  0.791844  0.611080  1
  S  S124  1  0.833052  0.916248  0.610837  1
  S  S125  1  0.416678  0.041683  0.610564  1
  S  S126  1  0.500000  0.166712  0.610529  1
  S  S127  1  0.583376  0.291709  0.610451  1
  S  S128  1  0.666848  0.416726  0.610474  1
  S  S129  1  0.750260  0.541579  0.610409  1
  S  S130  1  0.833124  0.666533  0.610826  1
  S  S131  1  0.917556  0.790839  0.608367  1
  S  S132  1  0.000001  0.915774  0.610474  1
  S  S133  1  0.583321  0.041683  0.610564  1
  S  S134  1  0.666712  0.166595  0.610446  1
  S  S135  1  0.750159  0.291611  0.610469  1
  S  S136  1  0.833587  0.416734  0.610489  1
  S  S137  1  0.917169  0.541876  0.611332  1
  S  S138  1  0.000001  0.671395  0.604884  1
  S  S139  1  0.749973  0.041501  0.610593  1
  S  S140  1  0.833407  0.166343  0.610520  1
  S  S141  1  0.916696  0.291403  0.610539  1
  S  S142  1  0.000000  0.416625  0.610360  1
  S  S143  1  0.916670  0.041056  0.610379  1
  S  S144  1  -0.000001  0.166252  0.610434  1
