# generated using pymatgen
data_SnW48S95
_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   SnW48S95
_chemical_formula_sum   'Sn1 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
  Sn  Sn1  1  0.083337  0.791659  0.321071  1
  W  W2  1  0.002935  0.751557  0.510264  1
  W  W3  1  0.083333  0.872055  0.510146  1
  W  W4  1  0.000056  0.501049  0.500590  1
  W  W5  1  0.083333  0.627375  0.504884  1
  W  W6  1  0.163731  0.751557  0.510264  1
  W  W7  1  0.247829  0.873869  0.504703  1
  W  W8  1  0.000167  0.250158  0.498992  1
  W  W9  1  0.083333  0.375668  0.499574  1
  W  W10  1  0.166610  0.501048  0.500590  1
  W  W11  1  0.249424  0.626169  0.501001  1
  W  W12  1  0.332094  0.749971  0.500840  1
  W  W13  1  0.415996  0.874409  0.500420  1
  W  W14  1  0.000734  -0.000978  0.501059  1
  W  W15  1  0.083334  0.124797  0.499330  1
  W  W16  1  0.166500  0.250159  0.498993  1
  W  W17  1  0.249762  0.375479  0.499159  1
  W  W18  1  0.332979  0.500732  0.499054  1
  W  W19  1  0.416439  0.625252  0.498886  1
  W  W20  1  0.499662  0.749871  0.498878  1
  W  W21  1  0.583333  0.874515  0.499400  1
  W  W22  1  0.165933  -0.000978  0.501059  1
  W  W23  1  0.249463  0.124505  0.499372  1
  W  W24  1  0.332953  0.249929  0.498974  1
  W  W25  1  0.416414  0.375253  0.498722  1
  W  W26  1  0.499913  0.500284  0.498396  1
  W  W27  1  0.583333  0.625220  0.498288  1
  W  W28  1  0.667004  0.749871  0.498877  1
  W  W29  1  0.750671  0.874409  0.500421  1
  W  W30  1  0.332484  -0.000644  0.500648  1
  W  W31  1  0.416264  0.124519  0.499475  1
  W  W32  1  0.499828  0.249775  0.499004  1
  W  W33  1  0.583333  0.375137  0.498630  1
  W  W34  1  0.666753  0.500283  0.498395  1
  W  W35  1  0.750227  0.625252  0.498886  1
  W  W36  1  0.834572  0.749970  0.500839  1
  W  W37  1  0.918838  0.873869  0.504703  1
  W  W38  1  0.499654  -0.000654  0.499886  1
  W  W39  1  0.583333  0.124428  0.499427  1
  W  W40  1  0.666839  0.249775  0.499004  1
  W  W41  1  0.750253  0.375253  0.498722  1
  W  W42  1  0.833688  0.500732  0.499053  1
  W  W43  1  0.917242  0.626169  0.501001  1
  W  W44  1  0.667013  -0.000654  0.499886  1
  W  W45  1  0.750404  0.124518  0.499475  1
  W  W46  1  0.833715  0.249929  0.498973  1
  W  W47  1  0.916904  0.375479  0.499158  1
  W  W48  1  0.834183  -0.000644  0.500648  1
  W  W49  1  0.917205  0.124505  0.499371  1
  S  S50  1  0.164366  0.912421  0.393885  1
  S  S51  1  0.083333  0.544315  0.391682  1
  S  S52  1  0.163538  0.670662  0.394009  1
  S  S53  1  0.244601  0.792078  0.393888  1
  S  S54  1  0.331002  0.915327  0.391540  1
  S  S55  1  0.083333  0.292265  0.388556  1
  S  S56  1  0.166365  0.417932  0.389200  1
  S  S57  1  0.249068  0.543167  0.389440  1
  S  S58  1  0.332283  0.667276  0.389452  1
  S  S59  1  0.415144  0.791565  0.389240  1
  S  S60  1  0.499278  0.916020  0.389231  1
  S  S61  1  0.083333  0.040686  0.389741  1
  S  S62  1  0.166522  0.166422  0.388530  1
  S  S63  1  0.249690  0.291985  0.388460  1
  S  S64  1  0.332863  0.417257  0.388459  1
  S  S65  1  0.416152  0.542090  0.388036  1
  S  S66  1  0.499619  0.666911  0.387792  1
  S  S67  1  0.583333  0.791570  0.388232  1
  S  S68  1  0.667389  0.916020  0.389230  1
  S  S69  1  0.249108  0.040347  0.389624  1
  S  S70  1  0.332890  0.166130  0.388803  1
  S  S71  1  0.416393  0.291566  0.388536  1
  S  S72  1  0.499821  0.416796  0.388109  1
  S  S73  1  0.583333  0.541915  0.387641  1
  S  S74  1  0.667047  0.666910  0.387792  1
  S  S75  1  0.751522  0.791565  0.389239  1
  S  S76  1  0.835665  0.915326  0.391540  1
  S  S77  1  0.415860  0.040679  0.389486  1
  S  S78  1  0.499773  0.166022  0.388940  1
  S  S79  1  0.583334  0.291426  0.388594  1
  S  S80  1  0.666845  0.416796  0.388109  1
  S  S81  1  0.750515  0.542090  0.388035  1
  S  S82  1  0.834384  0.667276  0.389451  1
  S  S83  1  0.922065  0.792077  0.393889  1
  S  S84  1  0.002300  0.912421  0.393885  1
  S  S85  1  0.583333  0.040797  0.389255  1
  S  S86  1  0.666894  0.166022  0.388941  1
  S  S87  1  0.750273  0.291566  0.388535  1
  S  S88  1  0.833803  0.417257  0.388458  1
  S  S89  1  0.917599  0.543167  0.389439  1
  S  S90  1  0.003127  0.670662  0.394009  1
  S  S91  1  0.750807  0.040679  0.389486  1
  S  S92  1  0.833777  0.166130  0.388802  1
  S  S93  1  0.916977  0.291985  0.388459  1
  S  S94  1  0.000302  0.417932  0.389199  1
  S  S95  1  0.917559  0.040347  0.389624  1
  S  S96  1  0.000145  0.166421  0.388530  1
  S  S97  1  0.083333  0.791731  0.623784  1
  S  S98  1  0.165878  0.917388  0.616532  1
  S  S99  1  0.083334  0.541823  0.612309  1
  S  S100  1  0.167895  0.667016  0.616648  1
  S  S101  1  0.250471  0.790665  0.616518  1
  S  S102  1  0.333464  0.916422  0.612203  1
  S  S103  1  0.083333  0.291922  0.609719  1
  S  S104  1  0.166743  0.417091  0.610381  1
  S  S105  1  0.250367  0.542356  0.610952  1
  S  S106  1  0.333708  0.666655  0.611004  1
  S  S107  1  0.416553  0.790991  0.610711  1
  S  S108  1  0.499997  0.915981  0.610511  1
  S  S109  1  0.083334  0.041873  0.611196  1
  S  S110  1  0.166483  0.166755  0.609848  1
  S  S111  1  0.249755  0.291890  0.609520  1
  S  S112  1  0.333251  0.417129  0.609444  1
  S  S113  1  0.416718  0.541956  0.609435  1
  S  S114  1  0.500061  0.666621  0.609385  1
  S  S115  1  0.583333  0.791136  0.609706  1
  S  S116  1  0.666670  0.915981  0.610511  1
  S  S117  1  0.249266  0.041548  0.611043  1
  S  S118  1  0.332870  0.166512  0.609700  1
  S  S119  1  0.416417  0.291760  0.609235  1
  S  S120  1  0.499919  0.416963  0.609039  1
  S  S121  1  0.583333  0.541927  0.608930  1
  S  S122  1  0.666606  0.666621  0.609386  1
  S  S123  1  0.750113  0.790991  0.610711  1
  S  S124  1  0.833203  0.916422  0.612203  1
  S  S125  1  0.416344  0.041282  0.610522  1
  S  S126  1  0.499819  0.166359  0.609671  1
  S  S127  1  0.583333  0.291690  0.609157  1
  S  S128  1  0.666748  0.416963  0.609039  1
  S  S129  1  0.749949  0.541956  0.609435  1
  S  S130  1  0.832959  0.666656  0.611004  1
  S  S131  1  0.916195  0.790665  0.616517  1
  S  S132  1  0.000788  0.917388  0.616532  1
  S  S133  1  0.583333  0.041113  0.610193  1
  S  S134  1  0.666848  0.166359  0.609671  1
  S  S135  1  0.750250  0.291760  0.609235  1
  S  S136  1  0.833416  0.417129  0.609444  1
  S  S137  1  0.916299  0.542356  0.610952  1
  S  S138  1  -0.001229  0.667016  0.616647  1
  S  S139  1  0.750323  0.041282  0.610522  1
  S  S140  1  0.833797  0.166512  0.609699  1
  S  S141  1  0.916912  0.291889  0.609521  1
  S  S142  1  -0.000078  0.417091  0.610380  1
  S  S143  1  0.917400  0.041549  0.611043  1
  S  S144  1  0.000185  0.166754  0.609847  1
