# generated using pymatgen
data_InW48S95
_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   InW48S95
_chemical_formula_sum   'In1 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
  In  In1  1  0.083333  0.791677  0.282425  1
  W  W2  1  0.003217  0.751691  0.508251  1
  W  W3  1  0.083333  0.871746  0.508260  1
  W  W4  1  0.000104  0.500902  0.500883  1
  W  W5  1  0.083333  0.626988  0.504145  1
  W  W6  1  0.163450  0.751691  0.508251  1
  W  W7  1  0.248207  0.874048  0.504009  1
  W  W8  1  0.000107  0.250033  0.499526  1
  W  W9  1  0.083333  0.375472  0.500013  1
  W  W10  1  0.166563  0.500902  0.500883  1
  W  W11  1  0.249482  0.626060  0.501151  1
  W  W12  1  0.332233  0.749966  0.500997  1
  W  W13  1  0.416042  0.874562  0.500647  1
  W  W14  1  0.000665  -0.000916  0.501153  1
  W  W15  1  0.083333  0.124663  0.499741  1
  W  W16  1  0.166560  0.250033  0.499526  1
  W  W17  1  0.249783  0.375365  0.499777  1
  W  W18  1  0.332994  0.500571  0.499818  1
  W  W19  1  0.416399  0.625271  0.499646  1
  W  W20  1  0.499671  0.749982  0.499571  1
  W  W21  1  0.583333  0.874690  0.499881  1
  W  W22  1  0.166002  -0.000916  0.501153  1
  W  W23  1  0.249632  0.124518  0.499775  1
  W  W24  1  0.333076  0.249917  0.499534  1
  W  W25  1  0.416463  0.375206  0.499540  1
  W  W26  1  0.499893  0.500249  0.499406  1
  W  W27  1  0.583333  0.625193  0.499285  1
  W  W28  1  0.666996  0.749982  0.499571  1
  W  W29  1  0.750625  0.874562  0.500647  1
  W  W30  1  0.332641  -0.000597  0.500764  1
  W  W31  1  0.416378  0.124612  0.499816  1
  W  W32  1  0.499869  0.249863  0.499560  1
  W  W33  1  0.583333  0.375108  0.499473  1
  W  W34  1  0.666773  0.500249  0.499406  1
  W  W35  1  0.750268  0.625271  0.499646  1
  W  W36  1  0.834434  0.749966  0.500997  1
  W  W37  1  0.918460  0.874048  0.504009  1
  W  W38  1  0.499735  -0.000466  0.500127  1
  W  W39  1  0.583333  0.124612  0.499767  1
  W  W40  1  0.666798  0.249863  0.499560  1
  W  W41  1  0.750203  0.375206  0.499540  1
  W  W42  1  0.833673  0.500571  0.499818  1
  W  W43  1  0.917185  0.626060  0.501152  1
  W  W44  1  0.666932  -0.000466  0.500127  1
  W  W45  1  0.750288  0.124612  0.499816  1
  W  W46  1  0.833591  0.249917  0.499534  1
  W  W47  1  0.916883  0.375365  0.499777  1
  W  W48  1  0.834026  -0.000597  0.500764  1
  W  W49  1  0.917035  0.124518  0.499775  1
  S  S50  1  0.164258  0.912825  0.393588  1
  S  S51  1  0.083333  0.543909  0.391556  1
  S  S52  1  0.164052  0.670476  0.393617  1
  S  S53  1  0.245029  0.791774  0.393534  1
  S  S54  1  0.331334  0.915511  0.391355  1
  S  S55  1  0.083333  0.292057  0.389032  1
  S  S56  1  0.166443  0.417675  0.389611  1
  S  S57  1  0.249230  0.542932  0.389877  1
  S  S58  1  0.332439  0.667175  0.389673  1
  S  S59  1  0.415350  0.791592  0.389611  1
  S  S60  1  0.499417  0.916171  0.389573  1
  S  S61  1  0.083333  0.040705  0.389785  1
  S  S62  1  0.166574  0.166383  0.388978  1
  S  S63  1  0.249804  0.291909  0.388989  1
  S  S64  1  0.332972  0.417146  0.389118  1
  S  S65  1  0.416264  0.541990  0.388909  1
  S  S66  1  0.499713  0.666859  0.388708  1
  S  S67  1  0.583333  0.791606  0.388935  1
  S  S68  1  0.667249  0.916171  0.389573  1
  S  S69  1  0.249220  0.040467  0.389835  1
  S  S70  1  0.333011  0.166244  0.389129  1
  S  S71  1  0.416474  0.291668  0.389029  1
  S  S72  1  0.499868  0.416818  0.388904  1
  S  S73  1  0.583333  0.541859  0.388670  1
  S  S74  1  0.666954  0.666859  0.388708  1
  S  S75  1  0.751317  0.791592  0.389611  1
  S  S76  1  0.835332  0.915511  0.391355  1
  S  S77  1  0.416008  0.040898  0.389655  1
  S  S78  1  0.499830  0.166242  0.389192  1
  S  S79  1  0.583333  0.291568  0.389044  1
  S  S80  1  0.666799  0.416818  0.388904  1
  S  S81  1  0.750402  0.541990  0.388909  1
  S  S82  1  0.834228  0.667175  0.389674  1
  S  S83  1  0.921637  0.791774  0.393534  1
  S  S84  1  0.002409  0.912825  0.393588  1
  S  S85  1  0.583333  0.041045  0.389433  1
  S  S86  1  0.666836  0.166242  0.389192  1
  S  S87  1  0.750193  0.291668  0.389029  1
  S  S88  1  0.833694  0.417146  0.389118  1
  S  S89  1  0.917437  0.542932  0.389877  1
  S  S90  1  0.002614  0.670476  0.393617  1
  S  S91  1  0.750659  0.040898  0.389655  1
  S  S92  1  0.833655  0.166244  0.389129  1
  S  S93  1  0.916863  0.291909  0.388989  1
  S  S94  1  0.000224  0.417675  0.389611  1
  S  S95  1  0.917447  0.040467  0.389835  1
  S  S96  1  0.000093  0.166383  0.388978  1
  S  S97  1  0.083333  0.791687  0.621934  1
  S  S98  1  0.165627  0.916904  0.615317  1
  S  S99  1  0.083333  0.541970  0.612414  1
  S  S100  1  0.167528  0.667453  0.615355  1
  S  S101  1  0.249850  0.790708  0.615245  1
  S  S102  1  0.333313  0.916429  0.612250  1
  S  S103  1  0.083333  0.291771  0.610248  1
  S  S104  1  0.166661  0.416994  0.610817  1
  S  S105  1  0.250178  0.542287  0.611270  1
  S  S106  1  0.333513  0.666730  0.611256  1
  S  S107  1  0.416483  0.791220  0.611019  1
  S  S108  1  0.499958  0.916225  0.610810  1
  S  S109  1  0.083333  0.041720  0.611315  1
  S  S110  1  0.166542  0.166619  0.610276  1
  S  S111  1  0.249818  0.291768  0.610162  1
  S  S112  1  0.333196  0.416993  0.610282  1
  S  S113  1  0.416640  0.541917  0.610283  1
  S  S114  1  0.500010  0.666722  0.610178  1
  S  S115  1  0.583333  0.791372  0.610304  1
  S  S116  1  0.666708  0.916225  0.610810  1
  S  S117  1  0.249466  0.041473  0.611173  1
  S  S118  1  0.333014  0.166491  0.610229  1
  S  S119  1  0.416464  0.291689  0.610066  1
  S  S120  1  0.499928  0.416869  0.610057  1
  S  S121  1  0.583333  0.541899  0.609988  1
  S  S122  1  0.666656  0.666722  0.610178  1
  S  S123  1  0.750184  0.791220  0.611019  1
  S  S124  1  0.833353  0.916429  0.612250  1
  S  S125  1  0.416415  0.041364  0.610788  1
  S  S126  1  0.499867  0.166438  0.610218  1
  S  S127  1  0.583333  0.291648  0.610028  1
  S  S128  1  0.666739  0.416869  0.610057  1
  S  S129  1  0.750027  0.541917  0.610283  1
  S  S130  1  0.833153  0.666730  0.611256  1
  S  S131  1  0.916817  0.790708  0.615245  1
  S  S132  1  0.001039  0.916904  0.615317  1
  S  S133  1  0.583333  0.041292  0.610538  1
  S  S134  1  0.666800  0.166438  0.610218  1
  S  S135  1  0.750203  0.291689  0.610066  1
  S  S136  1  0.833471  0.416993  0.610282  1
  S  S137  1  0.916489  0.542287  0.611270  1
  S  S138  1  -0.000861  0.667453  0.615355  1
  S  S139  1  0.750252  0.041364  0.610788  1
  S  S140  1  0.833653  0.166491  0.610229  1
  S  S141  1  0.916849  0.291768  0.610162  1
  S  S142  1  0.000006  0.416994  0.610817  1
  S  S143  1  0.917201  0.041473  0.611173  1
  S  S144  1  0.000125  0.166619  0.610276  1
