# generated using pymatgen
data_W48S95
_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   W48S95
_chemical_formula_sum   '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
  W  W1  1  0.003566  0.751786  0.507573  1
  W  W2  1  0.083333  0.871460  0.507607  1
  W  W3  1  0.000222  0.500701  0.500175  1
  W  W4  1  0.083333  0.626823  0.503918  1
  W  W5  1  0.163101  0.751786  0.507574  1
  W  W6  1  0.248193  0.874094  0.503607  1
  W  W7  1  0.000084  0.249915  0.498633  1
  W  W8  1  0.083333  0.375262  0.498991  1
  W  W9  1  0.166445  0.500700  0.500176  1
  W  W10  1  0.249232  0.625950  0.500809  1
  W  W11  1  0.332070  0.750132  0.500418  1
  W  W12  1  0.415984  0.874763  0.499772  1
  W  W13  1  0.000539  -0.001015  0.501042  1
  W  W14  1  0.083333  0.124495  0.499161  1
  W  W15  1  0.166582  0.249915  0.498633  1
  W  W16  1  0.249795  0.375202  0.498827  1
  W  W17  1  0.332950  0.500507  0.498857  1
  W  W18  1  0.416209  0.625305  0.498526  1
  W  W19  1  0.499610  0.750049  0.498324  1
  W  W20  1  0.583333  0.874905  0.498786  1
  W  W21  1  0.166128  -0.001015  0.501042  1
  W  W22  1  0.249641  0.124513  0.499250  1
  W  W23  1  0.333130  0.249884  0.498847  1
  W  W24  1  0.416463  0.375147  0.498584  1
  W  W25  1  0.499863  0.500187  0.498183  1
  W  W26  1  0.583333  0.625189  0.497909  1
  W  W27  1  0.667057  0.750049  0.498324  1
  W  W28  1  0.750683  0.874763  0.499772  1
  W  W29  1  0.332746  -0.000530  0.500274  1
  W  W30  1  0.416451  0.124755  0.499309  1
  W  W31  1  0.499888  0.249934  0.498865  1
  W  W32  1  0.583333  0.375107  0.498432  1
  W  W33  1  0.666804  0.500187  0.498184  1
  W  W34  1  0.750458  0.625306  0.498526  1
  W  W35  1  0.834596  0.750132  0.500417  1
  W  W36  1  0.918474  0.874094  0.503606  1
  W  W37  1  0.499790  -0.000232  0.499408  1
  W  W38  1  0.583333  0.124806  0.499209  1
  W  W39  1  0.666779  0.249934  0.498865  1
  W  W40  1  0.750204  0.375147  0.498584  1
  W  W41  1  0.833716  0.500506  0.498856  1
  W  W42  1  0.917435  0.625949  0.500808  1
  W  W43  1  0.666877  -0.000232  0.499408  1
  W  W44  1  0.750216  0.124755  0.499309  1
  W  W45  1  0.833536  0.249884  0.498846  1
  W  W46  1  0.916872  0.375202  0.498826  1
  W  W47  1  0.833920  -0.000530  0.500273  1
  W  W48  1  0.917026  0.124513  0.499250  1
  S  S49  1  0.163905  0.912668  0.393459  1
  S  S50  1  0.083333  0.543956  0.390966  1
  S  S51  1  0.163860  0.670734  0.393504  1
  S  S52  1  0.244408  0.791703  0.393238  1
  S  S53  1  0.331080  0.915626  0.390718  1
  S  S54  1  0.083333  0.291839  0.388029  1
  S  S55  1  0.166453  0.417536  0.388673  1
  S  S56  1  0.248978  0.542988  0.389269  1
  S  S57  1  0.331859  0.667319  0.389111  1
  S  S58  1  0.414991  0.791745  0.388782  1
  S  S59  1  0.499334  0.916478  0.388689  1
  S  S60  1  0.083334  0.040314  0.389605  1
  S  S61  1  0.166559  0.166185  0.388273  1
  S  S62  1  0.249880  0.291732  0.388098  1
  S  S63  1  0.332956  0.417050  0.388133  1
  S  S64  1  0.416129  0.541967  0.387802  1
  S  S65  1  0.499550  0.666867  0.387503  1
  S  S66  1  0.583333  0.791785  0.387812  1
  S  S67  1  0.667333  0.916478  0.388690  1
  S  S68  1  0.249158  0.040353  0.389501  1
  S  S69  1  0.333041  0.166216  0.388539  1
  S  S70  1  0.416473  0.291576  0.388156  1
  S  S71  1  0.499819  0.416684  0.387754  1
  S  S72  1  0.583333  0.541752  0.387423  1
  S  S73  1  0.667116  0.666867  0.387503  1
  S  S74  1  0.751676  0.791745  0.388782  1
  S  S75  1  0.835586  0.915626  0.390718  1
  S  S76  1  0.415996  0.041120  0.389078  1
  S  S77  1  0.499851  0.166345  0.388524  1
  S  S78  1  0.583333  0.291502  0.388117  1
  S  S79  1  0.666847  0.416684  0.387754  1
  S  S80  1  0.750538  0.541967  0.387802  1
  S  S81  1  0.834807  0.667320  0.389111  1
  S  S82  1  0.922259  0.791703  0.393237  1
  S  S83  1  0.002762  0.912667  0.393458  1
  S  S84  1  0.583333  0.041359  0.388705  1
  S  S85  1  0.666817  0.166345  0.388524  1
  S  S86  1  0.750193  0.291576  0.388155  1
  S  S87  1  0.833710  0.417050  0.388132  1
  S  S88  1  0.917689  0.542988  0.389269  1
  S  S89  1  0.002807  0.670733  0.393504  1
  S  S90  1  0.750671  0.041120  0.389078  1
  S  S91  1  0.833626  0.166216  0.388538  1
  S  S92  1  0.916786  0.291732  0.388097  1
  S  S93  1  0.000213  0.417536  0.388673  1
  S  S94  1  0.917509  0.040354  0.389501  1
  S  S95  1  0.000108  0.166185  0.388272  1
  S  S96  1  0.083333  0.791678  0.621804  1
  S  S97  1  0.165560  0.916722  0.614908  1
  S  S98  1  0.083333  0.541675  0.611930  1
  S  S99  1  0.167427  0.667522  0.614939  1
  S  S100  1  0.249677  0.790701  0.614629  1
  S  S101  1  0.333401  0.916490  0.611630  1
  S  S102  1  0.083333  0.291650  0.609314  1
  S  S103  1  0.166636  0.416706  0.609886  1
  S  S104  1  0.250130  0.541999  0.610512  1
  S  S105  1  0.333576  0.666701  0.610373  1
  S  S106  1  0.416598  0.791336  0.609929  1
  S  S107  1  0.500008  0.916349  0.609810  1
  S  S108  1  0.083333  0.041747  0.610947  1
  S  S109  1  0.166497  0.166655  0.609583  1
  S  S110  1  0.249800  0.291693  0.609358  1
  S  S111  1  0.333216  0.416920  0.609302  1
  S  S112  1  0.416698  0.541910  0.609088  1
  S  S113  1  0.500039  0.666692  0.608771  1
  S  S114  1  0.583333  0.791407  0.608910  1
  S  S115  1  0.666659  0.916349  0.609810  1
  S  S116  1  0.249647  0.041537  0.610753  1
  S  S117  1  0.333025  0.166566  0.609714  1
  S  S118  1  0.416499  0.291767  0.609376  1
  S  S119  1  0.499956  0.416899  0.609007  1
  S  S120  1  0.583333  0.541878  0.608669  1
  S  S121  1  0.666627  0.666692  0.608771  1
  S  S122  1  0.750069  0.791335  0.609929  1
  S  S123  1  0.833265  0.916489  0.611629  1
  S  S124  1  0.416552  0.041504  0.610236  1
  S  S125  1  0.499921  0.166640  0.609742  1
  S  S126  1  0.583333  0.291800  0.609296  1
  S  S127  1  0.666711  0.416899  0.609008  1
  S  S128  1  0.749969  0.541910  0.609088  1
  S  S129  1  0.833090  0.666701  0.610372  1
  S  S130  1  0.916990  0.790701  0.614629  1
  S  S131  1  0.001107  0.916723  0.614907  1
  S  S132  1  0.583333  0.041479  0.609945  1
  S  S133  1  0.666746  0.166640  0.609742  1
  S  S134  1  0.750168  0.291767  0.609376  1
  S  S135  1  0.833451  0.416920  0.609302  1
  S  S136  1  0.916536  0.541999  0.610511  1
  S  S137  1  -0.000761  0.667521  0.614939  1
  S  S138  1  0.750116  0.041504  0.610236  1
  S  S139  1  0.833642  0.166567  0.609714  1
  S  S140  1  0.916867  0.291693  0.609357  1
  S  S141  1  0.000030  0.416706  0.609886  1
  S  S142  1  0.917020  0.041537  0.610752  1
  S  S143  1  0.000170  0.166655  0.609583  1
