# generated using pymatgen
data_ZnW48S95
_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   ZnW48S95
_chemical_formula_sum   'Zn1 W48 S95'
_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
  Zn  Zn1  1  0.083333  0.791687  0.359685  1
  W  W2  1  0.000625  0.750370  0.504684  1
  W  W3  1  0.083333  0.874410  0.504659  1
  W  W4  1  -0.000105  0.500799  0.500012  1
  W  W5  1  0.083333  0.627476  0.501602  1
  W  W6  1  0.166042  0.750370  0.504684  1
  W  W7  1  0.247696  0.873798  0.501609  1
  W  W8  1  0.000080  0.250357  0.499840  1
  W  W9  1  0.083333  0.375723  0.500059  1
  W  W10  1  0.166772  0.500799  0.500012  1
  W  W11  1  0.249831  0.625591  0.499641  1
  W  W12  1  0.332827  0.749862  0.499651  1
  W  W13  1  0.416314  0.874445  0.499966  1
  W  W14  1  0.000403  -0.000329  0.499630  1
  W  W15  1  0.083333  0.125266  0.499572  1
  W  W16  1  0.166587  0.250357  0.499840  1
  W  W17  1  0.249849  0.375491  0.499915  1
  W  W18  1  0.333265  0.500438  0.499691  1
  W  W19  1  0.416783  0.624962  0.499587  1
  W  W20  1  0.499799  0.749723  0.499559  1
  W  W21  1  0.583333  0.874572  0.499834  1
  W  W22  1  0.166263  -0.000329  0.499630  1
  W  W23  1  0.249624  0.124882  0.499661  1
  W  W24  1  0.333090  0.250070  0.499887  1
  W  W25  1  0.416566  0.375132  0.499953  1
  W  W26  1  0.499970  0.500058  0.499869  1
  W  W27  1  0.583333  0.624951  0.499690  1
  W  W28  1  0.666868  0.749723  0.499559  1
  W  W29  1  0.750353  0.874445  0.499966  1
  W  W30  1  0.332713  -0.000329  0.500013  1
  W  W31  1  0.416367  0.124611  0.499953  1
  W  W32  1  0.499851  0.249780  0.500032  1
  W  W33  1  0.583333  0.374969  0.500054  1
  W  W34  1  0.666696  0.500058  0.499869  1
  W  W35  1  0.749884  0.624962  0.499587  1
  W  W36  1  0.833839  0.749862  0.499651  1
  W  W37  1  0.918971  0.873798  0.501609  1
  W  W38  1  0.499706  -0.000578  0.500053  1
  W  W39  1  0.583333  0.124530  0.500027  1
  W  W40  1  0.666816  0.249780  0.500032  1
  W  W41  1  0.750101  0.375132  0.499953  1
  W  W42  1  0.833402  0.500438  0.499691  1
  W  W43  1  0.916835  0.625591  0.499641  1
  W  W44  1  0.666960  -0.000578  0.500053  1
  W  W45  1  0.750299  0.124611  0.499953  1
  W  W46  1  0.833577  0.250070  0.499887  1
  W  W47  1  0.916817  0.375491  0.499915  1
  W  W48  1  0.833953  -0.000329  0.500013  1
  W  W49  1  0.917043  0.124882  0.499661  1
  S  S50  1  0.165618  0.914850  0.390360  1
  S  S51  1  0.083333  0.543512  0.390282  1
  S  S52  1  0.165372  0.668479  0.390335  1
  S  S53  1  0.247689  0.791772  0.390357  1
  S  S54  1  0.331748  0.915709  0.390330  1
  S  S55  1  0.083333  0.292290  0.389321  1
  S  S56  1  0.166521  0.417427  0.389320  1
  S  S57  1  0.249793  0.542154  0.388964  1
  S  S58  1  0.333453  0.666640  0.388892  1
  S  S59  1  0.416326  0.791524  0.388917  1
  S  S60  1  0.499662  0.916208  0.389241  1
  S  S61  1  0.083333  0.041860  0.388930  1
  S  S62  1  0.166605  0.166966  0.388961  1
  S  S63  1  0.249884  0.292039  0.389246  1
  S  S64  1  0.333256  0.416949  0.389228  1
  S  S65  1  0.416714  0.541695  0.388897  1
  S  S66  1  0.500040  0.666539  0.388744  1
  S  S67  1  0.583333  0.791397  0.388968  1
  S  S68  1  0.667005  0.916208  0.389241  1
  S  S69  1  0.249777  0.041341  0.389011  1
  S  S70  1  0.333145  0.166559  0.389275  1
  S  S71  1  0.416555  0.291653  0.389416  1
  S  S72  1  0.499991  0.416650  0.389341  1
  S  S73  1  0.583333  0.541611  0.389092  1
  S  S74  1  0.666627  0.666539  0.388744  1
  S  S75  1  0.750340  0.791524  0.388917  1
  S  S76  1  0.834919  0.915709  0.390330  1
  S  S77  1  0.416307  0.041087  0.389375  1
  S  S78  1  0.499876  0.166271  0.389498  1
  S  S79  1  0.583333  0.291478  0.389585  1
  S  S80  1  0.666676  0.416650  0.389341  1
  S  S81  1  0.749953  0.541695  0.388897  1
  S  S82  1  0.833214  0.666640  0.388892  1
  S  S83  1  0.918978  0.791772  0.390357  1
  S  S84  1  0.001049  0.914850  0.390360  1
  S  S85  1  0.583333  0.041038  0.389543  1
  S  S86  1  0.666791  0.166271  0.389498  1
  S  S87  1  0.750111  0.291653  0.389416  1
  S  S88  1  0.833411  0.416949  0.389228  1
  S  S89  1  0.916874  0.542154  0.388964  1
  S  S90  1  0.001294  0.668479  0.390335  1
  S  S91  1  0.750360  0.041087  0.389375  1
  S  S92  1  0.833522  0.166559  0.389275  1
  S  S93  1  0.916782  0.292039  0.389246  1
  S  S94  1  0.000146  0.417427  0.389320  1
  S  S95  1  0.916890  0.041341  0.389011  1
  S  S96  1  0.000062  0.166966  0.388961  1
  S  S97  1  0.083333  0.791720  0.614831  1
  S  S98  1  0.165673  0.917283  0.613446  1
  S  S99  1  0.083333  0.542588  0.610566  1
  S  S100  1  0.167759  0.667222  0.613480  1
  S  S101  1  0.250124  0.790605  0.613472  1
  S  S102  1  0.332698  0.916162  0.610528  1
  S  S103  1  0.083333  0.292151  0.610562  1
  S  S104  1  0.166684  0.417376  0.610727  1
  S  S105  1  0.250156  0.542268  0.610599  1
  S  S106  1  0.333446  0.666655  0.610352  1
  S  S107  1  0.416456  0.791196  0.610546  1
  S  S108  1  0.499828  0.916070  0.610700  1
  S  S109  1  0.083333  0.041838  0.610271  1
  S  S110  1  0.166525  0.166846  0.610433  1
  S  S111  1  0.249852  0.292007  0.610527  1
  S  S112  1  0.333237  0.417080  0.610476  1
  S  S113  1  0.416659  0.541831  0.610558  1
  S  S114  1  0.499986  0.666556  0.610501  1
  S  S115  1  0.583333  0.791231  0.610345  1
  S  S116  1  0.666839  0.916070  0.610700  1
  S  S117  1  0.249480  0.041563  0.610520  1
  S  S118  1  0.332973  0.166524  0.610379  1
  S  S119  1  0.416476  0.291660  0.610502  1
  S  S120  1  0.499934  0.416732  0.610601  1
  S  S121  1  0.583333  0.541718  0.610577  1
  S  S122  1  0.666681  0.666556  0.610501  1
  S  S123  1  0.750211  0.791196  0.610546  1
  S  S124  1  0.833969  0.916162  0.610528  1
  S  S125  1  0.416267  0.041199  0.610660  1
  S  S126  1  0.499828  0.166258  0.610510  1
  S  S127  1  0.583333  0.291473  0.610508  1
  S  S128  1  0.666733  0.416732  0.610601  1
  S  S129  1  0.750008  0.541831  0.610558  1
  S  S130  1  0.833220  0.666655  0.610352  1
  S  S131  1  0.916543  0.790605  0.613472  1
  S  S132  1  0.000994  0.917283  0.613446  1
  S  S133  1  0.583333  0.041065  0.610565  1
  S  S134  1  0.666839  0.166258  0.610510  1
  S  S135  1  0.750191  0.291660  0.610502  1
  S  S136  1  0.833430  0.417080  0.610476  1
  S  S137  1  0.916511  0.542268  0.610599  1
  S  S138  1  -0.001093  0.667222  0.613480  1
  S  S139  1  0.750400  0.041199  0.610660  1
  S  S140  1  0.833694  0.166523  0.610378  1
  S  S141  1  0.916815  0.292007  0.610527  1
  S  S142  1  -0.000018  0.417376  0.610727  1
  S  S143  1  0.917187  0.041563  0.610520  1
  S  S144  1  0.000142  0.166846  0.610433  1
