# generated using pymatgen
data_W47S96Cl
_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   W47S96Cl
_chemical_formula_sum   'W47 S96 Cl1'
_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  0.085975  0.877576  0.499999  1
  W  W2  1  0.000000  0.493487  0.499996  1
  W  W3  1  0.075748  0.620373  0.499999  1
  W  W4  1  0.169550  0.756400  0.500000  1
  W  W5  1  0.252594  0.877431  0.500004  1
  W  W6  1  -0.000000  0.248286  0.499994  1
  W  W7  1  0.083521  0.372477  0.499996  1
  W  W8  1  0.168578  0.496592  0.499997  1
  W  W9  1  0.247314  0.626645  0.499998  1
  W  W10  1  0.334623  0.751926  0.500002  1
  W  W11  1  0.417513  0.877023  0.500007  1
  W  W12  1  -0.000000  0.000067  0.499995  1
  W  W13  1  0.083485  0.124836  0.499997  1
  W  W14  1  0.167260  0.249270  0.499999  1
  W  W15  1  0.250388  0.374419  0.499997  1
  W  W16  1  0.332784  0.501421  0.499995  1
  W  W17  1  0.415993  0.626600  0.499996  1
  W  W18  1  0.500000  0.751585  0.500001  1
  W  W19  1  0.582487  0.877023  0.500003  1
  W  W20  1  0.168698  0.001796  0.500001  1
  W  W21  1  0.251028  0.125896  0.500004  1
  W  W22  1  0.333710  0.250482  0.500000  1
  W  W23  1  0.416792  0.376634  0.499992  1
  W  W24  1  0.500000  0.501366  0.499992  1
  W  W25  1  0.584007  0.626600  0.499994  1
  W  W26  1  0.665376  0.751927  0.499998  1
  W  W27  1  0.747406  0.877431  0.499996  1
  W  W28  1  0.334526  0.001863  0.500009  1
  W  W29  1  0.417012  0.126584  0.500006  1
  W  W30  1  0.500000  0.251456  0.499997  1
  W  W31  1  0.583208  0.376634  0.499988  1
  W  W32  1  0.667216  0.501421  0.499989  1
  W  W33  1  0.752686  0.626645  0.499995  1
  W  W34  1  0.830450  0.756400  0.499997  1
  W  W35  1  0.914025  0.877576  0.499996  1
  W  W36  1  0.500000  0.001514  0.500009  1
  W  W37  1  0.582988  0.126584  0.500000  1
  W  W38  1  0.666290  0.250482  0.499990  1
  W  W39  1  0.749612  0.374419  0.499987  1
  W  W40  1  0.831422  0.496592  0.499994  1
  W  W41  1  0.924252  0.620373  0.499999  1
  W  W42  1  0.665474  0.001863  0.500000  1
  W  W43  1  0.748973  0.125897  0.499993  1
  W  W44  1  0.832740  0.249270  0.499990  1
  W  W45  1  0.916478  0.372477  0.499993  1
  W  W46  1  0.831301  0.001796  0.499993  1
  W  W47  1  0.916515  0.124836  0.499991  1
  S  S48  1  0.089753  0.796603  0.389630  1
  S  S49  1  0.169167  0.919283  0.389228  1
  S  S50  1  0.084032  0.536206  0.391111  1
  S  S51  1  0.160863  0.669602  0.393347  1
  S  S52  1  0.253515  0.794628  0.388297  1
  S  S53  1  0.334898  0.918882  0.388744  1
  S  S54  1  0.083578  0.289742  0.389119  1
  S  S55  1  0.166936  0.414398  0.388802  1
  S  S56  1  0.249138  0.543208  0.389378  1
  S  S57  1  0.331658  0.667943  0.389961  1
  S  S58  1  0.417424  0.793431  0.389166  1
  S  S59  1  0.500000  0.918498  0.388790  1
  S  S60  1  0.083692  0.041723  0.389477  1
  S  S61  1  0.167023  0.166323  0.389235  1
  S  S62  1  0.250399  0.291428  0.389154  1
  S  S63  1  0.333153  0.417839  0.389594  1
  S  S64  1  0.416321  0.543210  0.389652  1
  S  S65  1  0.500000  0.667952  0.389599  1
  S  S66  1  0.582576  0.793431  0.389167  1
  S  S67  1  0.665102  0.918882  0.388748  1
  S  S68  1  0.251344  0.043145  0.388840  1
  S  S69  1  0.333891  0.167676  0.388980  1
  S  S70  1  0.416706  0.293153  0.389516  1
  S  S71  1  0.500000  0.418261  0.389284  1
  S  S72  1  0.583680  0.543209  0.389653  1
  S  S73  1  0.668342  0.667944  0.389963  1
  S  S74  1  0.746485  0.794628  0.388300  1
  S  S75  1  0.830832  0.919283  0.389231  1
  S  S76  1  0.417287  0.043468  0.389047  1
  S  S77  1  0.500000  0.168344  0.389197  1
  S  S78  1  0.583294  0.293153  0.389519  1
  S  S79  1  0.666848  0.417839  0.389597  1
  S  S80  1  0.750861  0.543208  0.389380  1
  S  S81  1  0.839137  0.669603  0.393349  1
  S  S82  1  0.910247  0.796604  0.389631  1
  S  S83  1  -0.000000  0.916565  0.390203  1
  S  S84  1  0.582714  0.043468  0.389049  1
  S  S85  1  0.666110  0.167676  0.388985  1
  S  S86  1  0.749601  0.291428  0.389159  1
  S  S87  1  0.833064  0.414398  0.388805  1
  S  S88  1  0.915968  0.536206  0.391112  1
  S  S89  1  -0.000000  0.632318  0.358267  1
  S  S90  1  0.748656  0.043146  0.388846  1
  S  S91  1  0.832976  0.166323  0.389240  1
  S  S92  1  0.916421  0.289742  0.389121  1
  S  S93  1  0.000000  0.412143  0.387765  1
  S  S94  1  0.916307  0.041723  0.389480  1
  S  S95  1  -0.000000  0.165659  0.388994  1
  S  S96  1  0.089753  0.796603  0.610370  1
  S  S97  1  0.169168  0.919283  0.610771  1
  S  S98  1  0.084032  0.536206  0.608891  1
  S  S99  1  0.160862  0.669603  0.606653  1
  S  S100  1  0.253515  0.794628  0.611701  1
  S  S101  1  0.334899  0.918882  0.611249  1
  S  S102  1  0.083579  0.289742  0.610884  1
  S  S103  1  0.166936  0.414398  0.611202  1
  S  S104  1  0.249138  0.543209  0.610625  1
  S  S105  1  0.331657  0.667944  0.610041  1
  S  S106  1  0.417424  0.793432  0.610830  1
  S  S107  1  0.500000  0.918499  0.611203  1
  S  S108  1  0.083693  0.041722  0.610525  1
  S  S109  1  0.167023  0.166323  0.610764  1
  S  S110  1  0.250399  0.291427  0.610848  1
  S  S111  1  0.333152  0.417839  0.610412  1
  S  S112  1  0.416320  0.543211  0.610357  1
  S  S113  1  0.500000  0.667953  0.610405  1
  S  S114  1  0.582576  0.793432  0.610832  1
  S  S115  1  0.665101  0.918882  0.611252  1
  S  S116  1  0.251345  0.043146  0.611154  1
  S  S117  1  0.333891  0.167675  0.611016  1
  S  S118  1  0.416706  0.293152  0.610488  1
  S  S119  1  0.500000  0.418262  0.610727  1
  S  S120  1  0.583680  0.543211  0.610359  1
  S  S121  1  0.668343  0.667944  0.610043  1
  S  S122  1  0.746485  0.794628  0.611704  1
  S  S123  1  0.830832  0.919283  0.610774  1
  S  S124  1  0.417287  0.043467  0.610945  1
  S  S125  1  0.500000  0.168343  0.610802  1
  S  S126  1  0.583294  0.293152  0.610490  1
  S  S127  1  0.666848  0.417839  0.610415  1
  S  S128  1  0.750862  0.543209  0.610627  1
  S  S129  1  0.839138  0.669603  0.606654  1
  S  S130  1  0.910247  0.796603  0.610371  1
  S  S131  1  0.000000  0.916567  0.609800  1
  S  S132  1  0.582713  0.043467  0.610947  1
  S  S133  1  0.666108  0.167675  0.611021  1
  S  S134  1  0.749601  0.291427  0.610852  1
  S  S135  1  0.833065  0.414398  0.611204  1
  S  S136  1  0.915968  0.536206  0.608891  1
  S  S137  1  0.000000  0.632318  0.641733  1
  S  S138  1  0.748655  0.043145  0.611160  1
  S  S139  1  0.832977  0.166323  0.610769  1
  S  S140  1  0.916422  0.289742  0.610887  1
  S  S141  1  0.000000  0.412143  0.612239  1
  S  S142  1  0.916308  0.041722  0.610527  1
  S  S143  1  0.000000  0.165659  0.611010  1
  Cl  Cl144  1  0.000000  0.712727  0.500000  1
