# 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  0.791673  0.285714  1
  W  W2  1  0.003197  0.751661  0.508036  1
  W  W3  1  0.083333  0.871818  0.508040  1
  W  W4  1  0.000115  0.500855  0.500717  1
  W  W5  1  0.083333  0.626956  0.503816  1
  W  W6  1  0.163469  0.751661  0.508036  1
  W  W7  1  0.248177  0.874063  0.503774  1
  W  W8  1  0.000102  0.250084  0.499575  1
  W  W9  1  0.083333  0.375473  0.499996  1
  W  W10  1  0.166552  0.500855  0.500717  1
  W  W11  1  0.249450  0.626010  0.501008  1
  W  W12  1  0.332221  0.749959  0.500935  1
  W  W13  1  0.416037  0.874605  0.500547  1
  W  W14  1  0.000661  -0.000856  0.501016  1
  W  W15  1  0.083333  0.124751  0.499776  1
  W  W16  1  0.166565  0.250083  0.499575  1
  W  W17  1  0.249837  0.375355  0.499783  1
  W  W18  1  0.333040  0.500525  0.499819  1
  W  W19  1  0.416395  0.625208  0.499733  1
  W  W20  1  0.499677  0.749904  0.499563  1
  W  W21  1  0.583333  0.874692  0.499704  1
  W  W22  1  0.166006  -0.000856  0.501016  1
  W  W23  1  0.249618  0.124609  0.499795  1
  W  W24  1  0.333079  0.249940  0.499650  1
  W  W25  1  0.416492  0.375155  0.499732  1
  W  W26  1  0.499893  0.500169  0.499623  1
  W  W27  1  0.583333  0.625095  0.499410  1
  W  W28  1  0.666989  0.749904  0.499563  1
  W  W29  1  0.750630  0.874605  0.500547  1
  W  W30  1  0.332666  -0.000524  0.500674  1
  W  W31  1  0.416374  0.124672  0.499825  1
  W  W32  1  0.499870  0.249854  0.499810  1
  W  W33  1  0.583333  0.375035  0.499831  1
  W  W34  1  0.666773  0.500169  0.499623  1
  W  W35  1  0.750271  0.625208  0.499733  1
  W  W36  1  0.834446  0.749959  0.500935  1
  W  W37  1  0.918490  0.874063  0.503775  1
  W  W38  1  0.499754  -0.000419  0.499943  1
  W  W39  1  0.583333  0.124661  0.499744  1
  W  W40  1  0.666797  0.249854  0.499810  1
  W  W41  1  0.750175  0.375155  0.499732  1
  W  W42  1  0.833627  0.500525  0.499819  1
  W  W43  1  0.917217  0.626010  0.501008  1
  W  W44  1  0.666913  -0.000419  0.499943  1
  W  W45  1  0.750292  0.124672  0.499825  1
  W  W46  1  0.833587  0.249940  0.499650  1
  W  W47  1  0.916830  0.375355  0.499783  1
  W  W48  1  0.834001  -0.000524  0.500674  1
  W  W49  1  0.917048  0.124609  0.499795  1
  S  S50  1  0.164276  0.912955  0.393353  1
  S  S51  1  0.083333  0.543833  0.391287  1
  S  S52  1  0.164129  0.670396  0.393337  1
  S  S53  1  0.245120  0.791745  0.393332  1
  S  S54  1  0.331337  0.915578  0.391216  1
  S  S55  1  0.083333  0.292071  0.389013  1
  S  S56  1  0.166484  0.417588  0.389522  1
  S  S57  1  0.249300  0.542812  0.389760  1
  S  S58  1  0.332494  0.667124  0.389663  1
  S  S59  1  0.415421  0.791582  0.389591  1
  S  S60  1  0.499384  0.916197  0.389378  1
  S  S61  1  0.083333  0.040845  0.389714  1
  S  S62  1  0.166540  0.166472  0.388960  1
  S  S63  1  0.249856  0.291896  0.388967  1
  S  S64  1  0.333111  0.417091  0.389124  1
  S  S65  1  0.416379  0.541932  0.388954  1
  S  S66  1  0.499721  0.666718  0.388730  1
  S  S67  1  0.583333  0.791496  0.388852  1
  S  S68  1  0.667283  0.916197  0.389378  1
  S  S69  1  0.249282  0.040612  0.389777  1
  S  S70  1  0.332994  0.166338  0.389124  1
  S  S71  1  0.416523  0.291649  0.389136  1
  S  S72  1  0.499936  0.416717  0.389103  1
  S  S73  1  0.583333  0.541720  0.388830  1
  S  S74  1  0.666946  0.666718  0.388730  1
  S  S75  1  0.751246  0.791582  0.389591  1
  S  S76  1  0.835330  0.915578  0.391216  1
  S  S77  1  0.416007  0.041019  0.389533  1
  S  S78  1  0.499831  0.166361  0.389190  1
  S  S79  1  0.583333  0.291554  0.389279  1
  S  S80  1  0.666731  0.416717  0.389103  1
  S  S81  1  0.750288  0.541932  0.388954  1
  S  S82  1  0.834173  0.667124  0.389663  1
  S  S83  1  0.921547  0.791745  0.393332  1
  S  S84  1  0.002391  0.912955  0.393353  1
  S  S85  1  0.583333  0.041163  0.389227  1
  S  S86  1  0.666836  0.166361  0.389190  1
  S  S87  1  0.750144  0.291649  0.389136  1
  S  S88  1  0.833556  0.417091  0.389123  1
  S  S89  1  0.917366  0.542812  0.389760  1
  S  S90  1  0.002538  0.670396  0.393338  1
  S  S91  1  0.750660  0.041019  0.389533  1
  S  S92  1  0.833673  0.166338  0.389124  1
  S  S93  1  0.916810  0.291896  0.388967  1
  S  S94  1  0.000182  0.417588  0.389522  1
  S  S95  1  0.917385  0.040612  0.389777  1
  S  S96  1  0.000127  0.166472  0.388960  1
  S  S97  1  0.083333  0.791712  0.621618  1
  S  S98  1  0.165624  0.916952  0.615100  1
  S  S99  1  0.083333  0.541997  0.612232  1
  S  S100  1  0.167477  0.667413  0.615113  1
  S  S101  1  0.249812  0.790722  0.615050  1
  S  S102  1  0.333234  0.916460  0.612098  1
  S  S103  1  0.083333  0.291827  0.610331  1
  S  S104  1  0.166676  0.417005  0.610795  1
  S  S105  1  0.250123  0.542223  0.611156  1
  S  S106  1  0.333417  0.666710  0.611205  1
  S  S107  1  0.416508  0.791260  0.610942  1
  S  S108  1  0.499983  0.916284  0.610663  1
  S  S109  1  0.083333  0.041747  0.611238  1
  S  S110  1  0.166527  0.166693  0.610378  1
  S  S111  1  0.249828  0.291797  0.610296  1
  S  S112  1  0.333194  0.416996  0.610399  1
  S  S113  1  0.416604  0.541886  0.610446  1
  S  S114  1  0.499988  0.666662  0.610282  1
  S  S115  1  0.583333  0.791368  0.610192  1
  S  S116  1  0.666684  0.916284  0.610663  1
  S  S117  1  0.249487  0.041528  0.611108  1
  S  S118  1  0.332999  0.166501  0.610341  1
  S  S119  1  0.416435  0.291654  0.610337  1
  S  S120  1  0.499899  0.416802  0.610401  1
  S  S121  1  0.583333  0.541827  0.610233  1
  S  S122  1  0.666679  0.666662  0.610282  1
  S  S123  1  0.750159  0.791260  0.610943  1
  S  S124  1  0.833433  0.916460  0.612098  1
  S  S125  1  0.416479  0.041394  0.610731  1
  S  S126  1  0.499879  0.166385  0.610380  1
  S  S127  1  0.583333  0.291554  0.610435  1
  S  S128  1  0.666767  0.416802  0.610401  1
  S  S129  1  0.750062  0.541886  0.610446  1
  S  S130  1  0.833249  0.666710  0.611205  1
  S  S131  1  0.916855  0.790722  0.615050  1
  S  S132  1  0.001043  0.916952  0.615100  1
  S  S133  1  0.583333  0.041294  0.610427  1
  S  S134  1  0.666788  0.166385  0.610380  1
  S  S135  1  0.750232  0.291654  0.610337  1
  S  S136  1  0.833472  0.416996  0.610399  1
  S  S137  1  0.916543  0.542223  0.611156  1
  S  S138  1  -0.000810  0.667413  0.615113  1
  S  S139  1  0.750188  0.041394  0.610731  1
  S  S140  1  0.833668  0.166501  0.610341  1
  S  S141  1  0.916838  0.291797  0.610296  1
  S  S142  1  -0.000009  0.417005  0.610795  1
  S  S143  1  0.917180  0.041528  0.611108  1
  S  S144  1  0.000140  0.166693  0.610378  1
