# generated using pymatgen
data_CdW47S96
_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   CdW47S96
_chemical_formula_sum   'Cd1 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
  Cd  Cd1  1  -0.000000  0.749955  0.500000  1
  W  W2  1  0.088219  0.877646  0.499999  1
  W  W3  1  -0.000000  0.497067  0.499999  1
  W  W4  1  0.083360  0.619874  0.500000  1
  W  W5  1  0.171454  0.752478  0.500000  1
  W  W6  1  0.252570  0.876501  0.500001  1
  W  W7  1  -0.000000  0.249488  0.499999  1
  W  W8  1  0.083604  0.373686  0.499999  1
  W  W9  1  0.167780  0.498021  0.499999  1
  W  W10  1  0.250075  0.624821  0.500000  1
  W  W11  1  0.335326  0.750098  0.500000  1
  W  W12  1  0.417438  0.875607  0.500001  1
  W  W13  1  0.000000  0.000193  0.500000  1
  W  W14  1  0.083517  0.125080  0.500000  1
  W  W15  1  0.166987  0.249654  0.499999  1
  W  W16  1  0.250594  0.374206  0.499999  1
  W  W17  1  0.333518  0.499677  0.500000  1
  W  W18  1  0.416806  0.624830  0.500000  1
  W  W19  1  0.500000  0.749972  0.500000  1
  W  W20  1  0.582562  0.875607  0.500001  1
  W  W21  1  0.167981  0.001796  0.500000  1
  W  W22  1  0.250648  0.125734  0.500000  1
  W  W23  1  0.333745  0.250087  0.500000  1
  W  W24  1  0.416837  0.374967  0.500000  1
  W  W25  1  0.500000  0.499808  0.500000  1
  W  W26  1  0.583194  0.624830  0.500000  1
  W  W27  1  0.664674  0.750098  0.500000  1
  W  W28  1  0.747430  0.876501  0.500000  1
  W  W29  1  0.334306  0.000977  0.500000  1
  W  W30  1  0.416961  0.125575  0.500000  1
  W  W31  1  0.500000  0.250302  0.500000  1
  W  W32  1  0.583163  0.374967  0.500000  1
  W  W33  1  0.666482  0.499677  0.500000  1
  W  W34  1  0.749925  0.624821  0.500000  1
  W  W35  1  0.828546  0.752478  0.500000  1
  W  W36  1  0.911781  0.877646  0.499999  1
  W  W37  1  0.500000  0.000697  0.500000  1
  W  W38  1  0.583039  0.125575  0.500000  1
  W  W39  1  0.666255  0.250087  0.500000  1
  W  W40  1  0.749406  0.374206  0.499999  1
  W  W41  1  0.832220  0.498021  0.499999  1
  W  W42  1  0.916640  0.619874  0.500000  1
  W  W43  1  0.665694  0.000977  0.500000  1
  W  W44  1  0.749352  0.125734  0.500000  1
  W  W45  1  0.833013  0.249654  0.500000  1
  W  W46  1  0.916396  0.373686  0.499999  1
  W  W47  1  0.832019  0.001796  0.500000  1
  W  W48  1  0.916483  0.125080  0.500000  1
  S  S49  1  0.093937  0.797103  0.385710  1
  S  S50  1  0.169989  0.919525  0.388842  1
  S  S51  1  0.084393  0.537563  0.388905  1
  S  S52  1  0.165740  0.667060  0.390966  1
  S  S53  1  0.254169  0.792911  0.388898  1
  S  S54  1  0.334988  0.917857  0.388811  1
  S  S55  1  0.083507  0.290790  0.389071  1
  S  S56  1  0.167289  0.415099  0.389059  1
  S  S57  1  0.250356  0.541381  0.389206  1
  S  S58  1  0.333527  0.666406  0.389210  1
  S  S59  1  0.417706  0.792062  0.388968  1
  S  S60  1  0.500000  0.917415  0.388950  1
  S  S61  1  0.083350  0.041968  0.389149  1
  S  S62  1  0.166892  0.166651  0.389099  1
  S  S63  1  0.250387  0.291208  0.389053  1
  S  S64  1  0.333596  0.416416  0.389137  1
  S  S65  1  0.416763  0.541454  0.389250  1
  S  S66  1  0.500000  0.666464  0.389149  1
  S  S67  1  0.582294  0.792062  0.388968  1
  S  S68  1  0.665012  0.917857  0.388811  1
  S  S69  1  0.251151  0.042892  0.388991  1
  S  S70  1  0.333823  0.167122  0.388981  1
  S  S71  1  0.416847  0.291833  0.389066  1
  S  S72  1  0.500000  0.416623  0.389108  1
  S  S73  1  0.583237  0.541454  0.389250  1
  S  S74  1  0.666473  0.666406  0.389210  1
  S  S75  1  0.745831  0.792911  0.388898  1
  S  S76  1  0.830011  0.919525  0.388842  1
  S  S77  1  0.417156  0.042486  0.388949  1
  S  S78  1  0.500000  0.167196  0.389030  1
  S  S79  1  0.583153  0.291833  0.389066  1
  S  S80  1  0.666404  0.416416  0.389137  1
  S  S81  1  0.749644  0.541381  0.389206  1
  S  S82  1  0.834260  0.667060  0.390966  1
  S  S83  1  0.906063  0.797103  0.385710  1
  S  S84  1  0.000000  0.915888  0.390924  1
  S  S85  1  0.582844  0.042486  0.388949  1
  S  S86  1  0.666177  0.167122  0.388981  1
  S  S87  1  0.749613  0.291208  0.389053  1
  S  S88  1  0.832711  0.415099  0.389059  1
  S  S89  1  0.915607  0.537563  0.388905  1
  S  S90  1  0.000000  0.655814  0.385855  1
  S  S91  1  0.748849  0.042892  0.388991  1
  S  S92  1  0.833108  0.166651  0.389099  1
  S  S93  1  0.916493  0.290790  0.389071  1
  S  S94  1  -0.000000  0.414542  0.388879  1
  S  S95  1  0.916650  0.041968  0.389149  1
  S  S96  1  0.000000  0.166449  0.389183  1
  S  S97  1  0.093937  0.797103  0.614290  1
  S  S98  1  0.169989  0.919525  0.611158  1
  S  S99  1  0.084393  0.537563  0.611096  1
  S  S100  1  0.165740  0.667060  0.609034  1
  S  S101  1  0.254169  0.792911  0.611102  1
  S  S102  1  0.334988  0.917857  0.611188  1
  S  S103  1  0.083507  0.290790  0.610930  1
  S  S104  1  0.167289  0.415099  0.610941  1
  S  S105  1  0.250356  0.541381  0.610794  1
  S  S106  1  0.333527  0.666406  0.610790  1
  S  S107  1  0.417706  0.792062  0.611032  1
  S  S108  1  0.500000  0.917415  0.611050  1
  S  S109  1  0.083350  0.041968  0.610850  1
  S  S110  1  0.166892  0.166651  0.610902  1
  S  S111  1  0.250387  0.291208  0.610948  1
  S  S112  1  0.333596  0.416416  0.610863  1
  S  S113  1  0.416763  0.541454  0.610751  1
  S  S114  1  0.500000  0.666464  0.610851  1
  S  S115  1  0.582294  0.792062  0.611032  1
  S  S116  1  0.665012  0.917857  0.611188  1
  S  S117  1  0.251151  0.042892  0.611009  1
  S  S118  1  0.333823  0.167122  0.611019  1
  S  S119  1  0.416847  0.291833  0.610934  1
  S  S120  1  0.500000  0.416623  0.610893  1
  S  S121  1  0.583237  0.541454  0.610751  1
  S  S122  1  0.666473  0.666406  0.610790  1
  S  S123  1  0.745831  0.792911  0.611102  1
  S  S124  1  0.830011  0.919525  0.611158  1
  S  S125  1  0.417156  0.042486  0.611051  1
  S  S126  1  0.500000  0.167196  0.610970  1
  S  S127  1  0.583153  0.291833  0.610934  1
  S  S128  1  0.666404  0.416416  0.610863  1
  S  S129  1  0.749644  0.541381  0.610794  1
  S  S130  1  0.834260  0.667060  0.609034  1
  S  S131  1  0.906063  0.797103  0.614290  1
  S  S132  1  0.000000  0.915888  0.609076  1
  S  S133  1  0.582844  0.042486  0.611051  1
  S  S134  1  0.666177  0.167122  0.611019  1
  S  S135  1  0.749613  0.291208  0.610948  1
  S  S136  1  0.832711  0.415099  0.610941  1
  S  S137  1  0.915607  0.537563  0.611096  1
  S  S138  1  -0.000000  0.655814  0.614145  1
  S  S139  1  0.748849  0.042892  0.611009  1
  S  S140  1  0.833108  0.166651  0.610902  1
  S  S141  1  0.916493  0.290790  0.610930  1
  S  S142  1  0.000000  0.414542  0.611121  1
  S  S143  1  0.916650  0.041968  0.610850  1
  S  S144  1  -0.000000  0.166449  0.610818  1
