# generated using pymatgen
data_W48S95Cl
_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   W48S95Cl
_chemical_formula_sum   'W48 S95 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  -0.001259  0.749390  0.499398  1
  W  W2  1  0.083333  0.876242  0.499379  1
  W  W3  1  -0.000018  0.500413  0.500305  1
  W  W4  1  0.083333  0.625806  0.500205  1
  W  W5  1  0.167926  0.749390  0.499398  1
  W  W6  1  0.249238  0.874601  0.500193  1
  W  W7  1  0.000058  0.250123  0.500045  1
  W  W8  1  0.083333  0.375264  0.500124  1
  W  W9  1  0.166685  0.500413  0.500305  1
  W  W10  1  0.250198  0.625063  0.499879  1
  W  W11  1  0.333421  0.749849  0.499884  1
  W  W12  1  0.416374  0.874761  0.500302  1
  W  W13  1  0.000123  0.000119  0.499871  1
  W  W14  1  0.083333  0.125100  0.500025  1
  W  W15  1  0.166608  0.250123  0.500045  1
  W  W16  1  0.249956  0.375205  0.500065  1
  W  W17  1  0.333351  0.500134  0.500126  1
  W  W18  1  0.416757  0.625018  0.500036  1
  W  W19  1  0.499987  0.749947  0.500169  1
  W  W20  1  0.583333  0.874825  0.500121  1
  W  W21  1  0.166543  0.000119  0.499871  1
  W  W22  1  0.249888  0.124984  0.500130  1
  W  W23  1  0.333230  0.250011  0.500032  1
  W  W24  1  0.416610  0.375077  0.500024  1
  W  W25  1  0.500037  0.500083  0.500039  1
  W  W26  1  0.583333  0.625022  0.500072  1
  W  W27  1  0.666680  0.749947  0.500169  1
  W  W28  1  0.750293  0.874761  0.500302  1
  W  W29  1  0.332946  -0.000220  0.500294  1
  W  W30  1  0.416491  0.124839  0.500054  1
  W  W31  1  0.499981  0.249928  0.499992  1
  W  W32  1  0.583333  0.375017  0.500005  1
  W  W33  1  0.666630  0.500083  0.500039  1
  W  W34  1  0.749910  0.625018  0.500036  1
  W  W35  1  0.833246  0.749849  0.499884  1
  W  W36  1  0.917429  0.874601  0.500193  1
  W  W37  1  0.499851  -0.000216  0.500108  1
  W  W38  1  0.583333  0.124805  0.500006  1
  W  W39  1  0.666686  0.249929  0.499992  1
  W  W40  1  0.750057  0.375077  0.500024  1
  W  W41  1  0.833315  0.500134  0.500126  1
  W  W42  1  0.916469  0.625063  0.499879  1
  W  W43  1  0.666816  -0.000216  0.500108  1
  W  W44  1  0.750175  0.124839  0.500054  1
  W  W45  1  0.833437  0.250011  0.500032  1
  W  W46  1  0.916711  0.375205  0.500065  1
  W  W47  1  0.833720  -0.000220  0.500294  1
  W  W48  1  0.916779  0.124984  0.500130  1
  S  S49  1  0.166927  0.917140  0.388806  1
  S  S50  1  0.083333  0.542184  0.389633  1
  S  S51  1  0.167042  0.666252  0.388816  1
  S  S52  1  0.250635  0.791599  0.388811  1
  S  S53  1  0.332885  0.916372  0.389613  1
  S  S54  1  0.083333  0.291863  0.389305  1
  S  S55  1  0.166599  0.417082  0.389463  1
  S  S56  1  0.250049  0.541726  0.389313  1
  S  S57  1  0.333592  0.666566  0.389009  1
  S  S58  1  0.416718  0.791588  0.389301  1
  S  S59  1  0.499745  0.916392  0.389474  1
  S  S60  1  0.083333  0.041903  0.389022  1
  S  S61  1  0.166664  0.166730  0.389284  1
  S  S62  1  0.249922  0.291810  0.389326  1
  S  S63  1  0.333284  0.416804  0.389322  1
  S  S64  1  0.416672  0.541714  0.389269  1
  S  S65  1  0.500043  0.666708  0.389239  1
  S  S66  1  0.583333  0.791575  0.389311  1
  S  S67  1  0.666922  0.916392  0.389474  1
  S  S68  1  0.249948  0.041677  0.389316  1
  S  S69  1  0.333210  0.166600  0.389339  1
  S  S70  1  0.416607  0.291665  0.389359  1
  S  S71  1  0.499980  0.416726  0.389326  1
  S  S72  1  0.583333  0.541743  0.389236  1
  S  S73  1  0.666624  0.666708  0.389239  1
  S  S74  1  0.749949  0.791588  0.389301  1
  S  S75  1  0.833782  0.916372  0.389613  1
  S  S76  1  0.416336  0.041346  0.389482  1
  S  S77  1  0.499900  0.166481  0.389373  1
  S  S78  1  0.583333  0.291623  0.389340  1
  S  S79  1  0.666687  0.416726  0.389326  1
  S  S80  1  0.749995  0.541714  0.389269  1
  S  S81  1  0.833075  0.666566  0.389009  1
  S  S82  1  0.916032  0.791599  0.388811  1
  S  S83  1  -0.000261  0.917140  0.388806  1
  S  S84  1  0.583333  0.041390  0.389391  1
  S  S85  1  0.666767  0.166481  0.389373  1
  S  S86  1  0.750059  0.291665  0.389359  1
  S  S87  1  0.833383  0.416804  0.389322  1
  S  S88  1  0.916617  0.541726  0.389313  1
  S  S89  1  -0.000376  0.666252  0.388816  1
  S  S90  1  0.750331  0.041346  0.389482  1
  S  S91  1  0.833457  0.166600  0.389339  1
  S  S92  1  0.916745  0.291810  0.389326  1
  S  S93  1  0.000067  0.417082  0.389463  1
  S  S94  1  0.916718  0.041677  0.389316  1
  S  S95  1  0.000003  0.166730  0.389285  1
  S  S96  1  0.083333  0.791662  0.607324  1
  S  S97  1  0.165807  0.916680  0.610984  1
  S  S98  1  0.083333  0.542314  0.611037  1
  S  S99  1  0.167138  0.667308  0.611004  1
  S  S100  1  0.249617  0.790993  0.611005  1
  S  S101  1  0.332745  0.916301  0.611017  1
  S  S102  1  0.083333  0.291826  0.610788  1
  S  S103  1  0.166631  0.416955  0.610879  1
  S  S104  1  0.250113  0.541961  0.611046  1
  S  S105  1  0.333410  0.666651  0.610979  1
  S  S106  1  0.416501  0.791432  0.611068  1
  S  S107  1  0.499854  0.916453  0.610869  1
  S  S108  1  0.083333  0.041731  0.610940  1
  S  S109  1  0.166613  0.166741  0.610843  1
  S  S110  1  0.249939  0.291791  0.610739  1
  S  S111  1  0.333304  0.416769  0.610815  1
  S  S112  1  0.416710  0.541738  0.610868  1
  S  S113  1  0.500023  0.666656  0.610928  1
  S  S114  1  0.583333  0.791596  0.610951  1
  S  S115  1  0.666813  0.916453  0.610869  1
  S  S116  1  0.249678  0.041595  0.611027  1
  S  S117  1  0.333246  0.166627  0.610794  1
  S  S118  1  0.416624  0.291660  0.610677  1
  S  S119  1  0.499987  0.416717  0.610718  1
  S  S120  1  0.583333  0.541729  0.610826  1
  S  S121  1  0.666644  0.666656  0.610928  1
  S  S122  1  0.750165  0.791432  0.611068  1
  S  S123  1  0.833922  0.916301  0.611017  1
  S  S124  1  0.416448  0.041430  0.610835  1
  S  S125  1  0.499925  0.166504  0.610650  1
  S  S126  1  0.583333  0.291620  0.610673  1
  S  S127  1  0.666679  0.416717  0.610718  1
  S  S128  1  0.749957  0.541738  0.610868  1
  S  S129  1  0.833257  0.666651  0.610979  1
  S  S130  1  0.917050  0.790993  0.611005  1
  S  S131  1  0.000859  0.916680  0.610984  1
  S  S132  1  0.583333  0.041442  0.610699  1
  S  S133  1  0.666742  0.166504  0.610650  1
  S  S134  1  0.750043  0.291660  0.610677  1
  S  S135  1  0.833363  0.416769  0.610815  1
  S  S136  1  0.916553  0.541961  0.611046  1
  S  S137  1  -0.000472  0.667308  0.611004  1
  S  S138  1  0.750219  0.041430  0.610835  1
  S  S139  1  0.833420  0.166627  0.610794  1
  S  S140  1  0.916728  0.291791  0.610739  1
  S  S141  1  0.000035  0.416955  0.610879  1
  S  S142  1  0.916989  0.041595  0.611027  1
  S  S143  1  0.000053  0.166741  0.610843  1
  Cl  Cl144  1  0.083333  0.791656  0.383728  1
