# 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  0.085574  0.877390  0.500005  1
  W  W2  1  0.000000  0.494003  0.499998  1
  W  W3  1  0.077181  0.620231  0.499999  1
  W  W4  1  0.169612  0.755984  0.500001  1
  W  W5  1  0.252456  0.877221  0.500002  1
  W  W6  1  0.000000  0.248786  0.500001  1
  W  W7  1  0.083575  0.372726  0.499999  1
  W  W8  1  0.168194  0.497421  0.499998  1
  W  W9  1  0.247727  0.626289  0.499999  1
  W  W10  1  0.334664  0.751739  0.500001  1
  W  W11  1  0.417397  0.876798  0.500001  1
  W  W12  1  -0.000000  0.000199  0.500004  1
  W  W13  1  0.083603  0.124908  0.500000  1
  W  W14  1  0.167284  0.249393  0.499999  1
  W  W15  1  0.250593  0.374391  0.499998  1
  W  W16  1  0.332950  0.501102  0.499999  1
  W  W17  1  0.416151  0.626257  0.500000  1
  W  W18  1  0.500000  0.751409  0.500001  1
  W  W19  1  0.582603  0.876798  0.500001  1
  W  W20  1  0.168420  0.001856  0.500001  1
  W  W21  1  0.250900  0.125827  0.499999  1
  W  W22  1  0.333847  0.250663  0.499998  1
  W  W23  1  0.416773  0.376152  0.499999  1
  W  W24  1  0.500000  0.501252  0.500000  1
  W  W25  1  0.583849  0.626257  0.500000  1
  W  W26  1  0.665336  0.751739  0.500001  1
  W  W27  1  0.747544  0.877221  0.500002  1
  W  W28  1  0.334381  0.001792  0.499998  1
  W  W29  1  0.417110  0.126407  0.499998  1
  W  W30  1  0.500000  0.251306  0.500000  1
  W  W31  1  0.583227  0.376152  0.500000  1
  W  W32  1  0.667050  0.501102  0.499999  1
  W  W33  1  0.752273  0.626289  0.499999  1
  W  W34  1  0.830388  0.755984  0.500001  1
  W  W35  1  0.914426  0.877390  0.500003  1
  W  W36  1  0.500000  0.001643  0.499999  1
  W  W37  1  0.582890  0.126407  0.499998  1
  W  W38  1  0.666153  0.250663  0.499998  1
  W  W39  1  0.749407  0.374391  0.499998  1
  W  W40  1  0.831806  0.497421  0.499998  1
  W  W41  1  0.922819  0.620231  0.499999  1
  W  W42  1  0.665619  0.001792  0.499999  1
  W  W43  1  0.749100  0.125827  0.499999  1
  W  W44  1  0.832716  0.249393  0.500000  1
  W  W45  1  0.916425  0.372726  0.499999  1
  W  W46  1  0.831580  0.001856  0.500001  1
  W  W47  1  0.916397  0.124908  0.500000  1
  S  S48  1  0.088990  0.795860  0.390403  1
  S  S49  1  0.168935  0.919148  0.389278  1
  S  S50  1  0.083841  0.536413  0.390646  1
  S  S51  1  0.161682  0.669285  0.392925  1
  S  S52  1  0.253405  0.794412  0.388251  1
  S  S53  1  0.334797  0.918769  0.388788  1
  S  S54  1  0.083649  0.289980  0.389070  1
  S  S55  1  0.167164  0.414747  0.389027  1
  S  S56  1  0.249337  0.542886  0.389357  1
  S  S57  1  0.331944  0.667781  0.389895  1
  S  S58  1  0.417452  0.793280  0.389066  1
  S  S59  1  0.500000  0.918441  0.388870  1
  S  S60  1  0.083635  0.041856  0.389325  1
  S  S61  1  0.167065  0.166451  0.389141  1
  S  S62  1  0.250478  0.291419  0.389044  1
  S  S63  1  0.333330  0.417594  0.389421  1
  S  S64  1  0.416394  0.542932  0.389481  1
  S  S65  1  0.500000  0.667784  0.389503  1
  S  S66  1  0.582548  0.793280  0.389066  1
  S  S67  1  0.665203  0.918769  0.388788  1
  S  S68  1  0.251200  0.043086  0.388783  1
  S  S69  1  0.333912  0.167656  0.389036  1
  S  S70  1  0.416816  0.292896  0.389218  1
  S  S71  1  0.500000  0.417979  0.389280  1
  S  S72  1  0.583606  0.542932  0.389481  1
  S  S73  1  0.668056  0.667781  0.389894  1
  S  S74  1  0.746595  0.794413  0.388251  1
  S  S75  1  0.831064  0.919149  0.389278  1
  S  S76  1  0.417200  0.043338  0.388960  1
  S  S77  1  0.500000  0.168178  0.389040  1
  S  S78  1  0.583183  0.292896  0.389218  1
  S  S79  1  0.666670  0.417594  0.389421  1
  S  S80  1  0.750663  0.542886  0.389357  1
  S  S81  1  0.838318  0.669285  0.392925  1
  S  S82  1  0.911010  0.795860  0.390403  1
  S  S83  1  -0.000000  0.916692  0.389977  1
  S  S84  1  0.582800  0.043338  0.388960  1
  S  S85  1  0.666088  0.167656  0.389035  1
  S  S86  1  0.749522  0.291418  0.389045  1
  S  S87  1  0.832836  0.414747  0.389027  1
  S  S88  1  0.916159  0.536413  0.390646  1
  S  S89  1  0.000000  0.637442  0.362035  1
  S  S90  1  0.748799  0.043086  0.388783  1
  S  S91  1  0.832935  0.166451  0.389141  1
  S  S92  1  0.916351  0.289980  0.389070  1
  S  S93  1  0.000000  0.412494  0.387886  1
  S  S94  1  0.916365  0.041856  0.389325  1
  S  S95  1  -0.000000  0.165927  0.389097  1
  S  S96  1  0.088991  0.795860  0.609600  1
  S  S97  1  0.168937  0.919149  0.610723  1
  S  S98  1  0.083841  0.536414  0.609355  1
  S  S99  1  0.161682  0.669284  0.607075  1
  S  S100  1  0.253405  0.794413  0.611749  1
  S  S101  1  0.334797  0.918769  0.611211  1
  S  S102  1  0.083651  0.289980  0.610933  1
  S  S103  1  0.167164  0.414747  0.610975  1
  S  S104  1  0.249337  0.542887  0.610645  1
  S  S105  1  0.331945  0.667780  0.610104  1
  S  S106  1  0.417452  0.793280  0.610933  1
  S  S107  1  0.500000  0.918440  0.611128  1
  S  S108  1  0.083637  0.041857  0.610675  1
  S  S109  1  0.167066  0.166451  0.610857  1
  S  S110  1  0.250479  0.291418  0.610955  1
  S  S111  1  0.333330  0.417595  0.610578  1
  S  S112  1  0.416394  0.542932  0.610517  1
  S  S113  1  0.500000  0.667784  0.610495  1
  S  S114  1  0.582548  0.793280  0.610933  1
  S  S115  1  0.665203  0.918769  0.611211  1
  S  S116  1  0.251201  0.043086  0.611215  1
  S  S117  1  0.333911  0.167655  0.610965  1
  S  S118  1  0.416816  0.292897  0.610781  1
  S  S119  1  0.500000  0.417979  0.610721  1
  S  S120  1  0.583606  0.542932  0.610517  1
  S  S121  1  0.668055  0.667780  0.610104  1
  S  S122  1  0.746595  0.794413  0.611749  1
  S  S123  1  0.831063  0.919149  0.610723  1
  S  S124  1  0.417200  0.043339  0.611042  1
  S  S125  1  0.500000  0.168178  0.610961  1
  S  S126  1  0.583184  0.292897  0.610781  1
  S  S127  1  0.666670  0.417595  0.610578  1
  S  S128  1  0.750663  0.542887  0.610645  1
  S  S129  1  0.838318  0.669284  0.607074  1
  S  S130  1  0.911009  0.795860  0.609600  1
  S  S131  1  -0.000000  0.916694  0.610026  1
  S  S132  1  0.582799  0.043339  0.611042  1
  S  S133  1  0.666089  0.167655  0.610965  1
  S  S134  1  0.749521  0.291418  0.610955  1
  S  S135  1  0.832836  0.414747  0.610975  1
  S  S136  1  0.916159  0.536414  0.609355  1
  S  S137  1  -0.000000  0.637443  0.637964  1
  S  S138  1  0.748799  0.043086  0.611216  1
  S  S139  1  0.832934  0.166451  0.610857  1
  S  S140  1  0.916349  0.289980  0.610933  1
  S  S141  1  0.000000  0.412494  0.612119  1
  S  S142  1  0.916364  0.041857  0.610675  1
  S  S143  1  -0.000000  0.165927  0.610903  1
  Cl  Cl144  1  -0.000000  0.713299  0.499999  1
