# 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  0.003625  0.751812  0.508164  1
  W  W2  1  0.083333  0.871389  0.508290  1
  W  W3  1  0.000168  0.500749  0.500331  1
  W  W4  1  0.083333  0.626847  0.504214  1
  W  W5  1  0.163041  0.751812  0.508164  1
  W  W6  1  0.248186  0.874073  0.504165  1
  W  W7  1  0.000053  0.249916  0.498732  1
  W  W8  1  0.083333  0.375304  0.499159  1
  W  W9  1  0.166499  0.500749  0.500331  1
  W  W10  1  0.249251  0.626014  0.501063  1
  W  W11  1  0.332036  0.750112  0.500935  1
  W  W12  1  0.415997  0.874713  0.500219  1
  W  W13  1  0.000590  -0.001063  0.501478  1
  W  W14  1  0.083333  0.124524  0.499612  1
  W  W15  1  0.166615  0.249916  0.498731  1
  W  W16  1  0.249826  0.375250  0.498588  1
  W  W17  1  0.332934  0.500534  0.498665  1
  W  W18  1  0.416243  0.625307  0.498730  1
  W  W19  1  0.499571  0.750074  0.498681  1
  W  W20  1  0.583333  0.874852  0.499049  1
  W  W21  1  0.166077  -0.001063  0.501478  1
  W  W22  1  0.249676  0.124465  0.499295  1
  W  W23  1  0.333140  0.249895  0.498250  1
  W  W24  1  0.416474  0.375164  0.497775  1
  W  W25  1  0.499863  0.500221  0.497669  1
  W  W26  1  0.583333  0.625241  0.497872  1
  W  W27  1  0.667095  0.750074  0.498680  1
  W  W28  1  0.750669  0.874713  0.500219  1
  W  W29  1  0.332715  -0.000545  0.500507  1
  W  W30  1  0.416445  0.124724  0.498829  1
  W  W31  1  0.499893  0.249942  0.497886  1
  W  W32  1  0.583333  0.375091  0.497491  1
  W  W33  1  0.666804  0.500221  0.497668  1
  W  W34  1  0.750424  0.625307  0.498730  1
  W  W35  1  0.834631  0.750112  0.500935  1
  W  W36  1  0.918480  0.874073  0.504166  1
  W  W37  1  0.499774  -0.000294  0.499360  1
  W  W38  1  0.583333  0.124792  0.498580  1
  W  W39  1  0.666773  0.249942  0.497886  1
  W  W40  1  0.750192  0.375164  0.497774  1
  W  W41  1  0.833733  0.500535  0.498664  1
  W  W42  1  0.917416  0.626014  0.501063  1
  W  W43  1  0.666893  -0.000294  0.499360  1
  W  W44  1  0.750222  0.124724  0.498830  1
  W  W45  1  0.833527  0.249895  0.498250  1
  W  W46  1  0.916841  0.375250  0.498588  1
  W  W47  1  0.833951  -0.000544  0.500506  1
  W  W48  1  0.916990  0.124465  0.499297  1
  S  S49  1  0.163836  0.912574  0.393958  1
  S  S50  1  0.083333  0.544049  0.391193  1
  S  S51  1  0.163843  0.670862  0.393817  1
  S  S52  1  0.244360  0.791699  0.393730  1
  S  S53  1  0.331022  0.915498  0.391164  1
  S  S54  1  0.083333  0.291861  0.388214  1
  S  S55  1  0.166341  0.417650  0.388729  1
  S  S56  1  0.248895  0.543129  0.389282  1
  S  S57  1  0.331895  0.667416  0.389368  1
  S  S58  1  0.414912  0.791753  0.389168  1
  S  S59  1  0.499259  0.916293  0.388881  1
  S  S60  1  0.083333  0.040332  0.390011  1
  S  S61  1  0.166456  0.166101  0.388496  1
  S  S62  1  0.249688  0.291752  0.387805  1
  S  S63  1  0.332802  0.417201  0.387655  1
  S  S64  1  0.416020  0.542168  0.387605  1
  S  S65  1  0.499464  0.666992  0.387627  1
  S  S66  1  0.583333  0.791709  0.388070  1
  S  S67  1  0.667407  0.916293  0.388881  1
  S  S68  1  0.249061  0.040213  0.389692  1
  S  S69  1  0.332866  0.166075  0.388123  1
  S  S70  1  0.416355  0.291569  0.387273  1
  S  S71  1  0.499787  0.416827  0.386923  1
  S  S72  1  0.583333  0.541985  0.387017  1
  S  S73  1  0.667202  0.666992  0.387627  1
  S  S74  1  0.751754  0.791753  0.389168  1
  S  S75  1  0.835644  0.915499  0.391164  1
  S  S76  1  0.415886  0.040874  0.388970  1
  S  S77  1  0.499793  0.166202  0.387771  1
  S  S78  1  0.583333  0.291489  0.387070  1
  S  S79  1  0.666879  0.416827  0.386923  1
  S  S80  1  0.750647  0.542168  0.387605  1
  S  S81  1  0.834771  0.667416  0.389368  1
  S  S82  1  0.922307  0.791699  0.393730  1
  S  S83  1  0.002831  0.912574  0.393958  1
  S  S84  1  0.583333  0.041112  0.388482  1
  S  S85  1  0.666873  0.166202  0.387771  1
  S  S86  1  0.750312  0.291569  0.387273  1
  S  S87  1  0.833865  0.417201  0.387655  1
  S  S88  1  0.917772  0.543129  0.389282  1
  S  S89  1  0.002824  0.670862  0.393816  1
  S  S90  1  0.750780  0.040874  0.388970  1
  S  S91  1  0.833800  0.166075  0.388124  1
  S  S92  1  0.916980  0.291752  0.387805  1
  S  S93  1  0.000325  0.417650  0.388730  1
  S  S94  1  0.917605  0.040213  0.389692  1
  S  S95  1  0.000210  0.166101  0.388497  1
  S  S96  1  0.083334  0.791621  0.622541  1
  S  S97  1  0.165574  0.916736  0.615471  1
  S  S98  1  0.083334  0.541647  0.612137  1
  S  S99  1  0.167449  0.667448  0.615306  1
  S  S100  1  0.249667  0.790679  0.615184  1
  S  S101  1  0.333447  0.916543  0.612074  1
  S  S102  1  0.083333  0.291652  0.609463  1
  S  S103  1  0.166784  0.416690  0.609973  1
  S  S104  1  0.250264  0.541970  0.610650  1
  S  S105  1  0.333594  0.666623  0.610751  1
  S  S106  1  0.416621  0.791312  0.610481  1
  S  S107  1  0.500089  0.916416  0.610104  1
  S  S108  1  0.083334  0.041743  0.611416  1
  S  S109  1  0.166662  0.166694  0.609845  1
  S  S110  1  0.250054  0.291730  0.609128  1
  S  S111  1  0.333421  0.416856  0.608909  1
  S  S112  1  0.416793  0.541742  0.608963  1
  S  S113  1  0.500076  0.666644  0.608995  1
  S  S114  1  0.583333  0.791403  0.609251  1
  S  S115  1  0.666577  0.916416  0.610104  1
  S  S116  1  0.249699  0.041594  0.611047  1
  S  S117  1  0.333210  0.166674  0.609341  1
  S  S118  1  0.416625  0.291791  0.608569  1
  S  S119  1  0.500016  0.416776  0.608243  1
  S  S120  1  0.583333  0.541772  0.608331  1
  S  S121  1  0.666591  0.666644  0.608995  1
  S  S122  1  0.750045  0.791313  0.610481  1
  S  S123  1  0.833220  0.916543  0.612075  1
  S  S124  1  0.416636  0.041663  0.610179  1
  S  S125  1  0.499964  0.166772  0.609034  1
  S  S126  1  0.583333  0.291793  0.608358  1
  S  S127  1  0.666651  0.416776  0.608243  1
  S  S128  1  0.749874  0.541742  0.608963  1
  S  S129  1  0.833073  0.666623  0.610751  1
  S  S130  1  0.916999  0.790679  0.615184  1
  S  S131  1  0.001092  0.916736  0.615471  1
  S  S132  1  0.583333  0.041626  0.609700  1
  S  S133  1  0.666702  0.166772  0.609035  1
  S  S134  1  0.750041  0.291791  0.608570  1
  S  S135  1  0.833246  0.416856  0.608910  1
  S  S136  1  0.916403  0.541970  0.610650  1
  S  S137  1  -0.000782  0.667447  0.615306  1
  S  S138  1  0.750031  0.041663  0.610179  1
  S  S139  1  0.833456  0.166674  0.609342  1
  S  S140  1  0.916613  0.291729  0.609128  1
  S  S141  1  -0.000117  0.416690  0.609973  1
  S  S142  1  0.916968  0.041594  0.611047  1
  S  S143  1  0.000005  0.166694  0.609845  1
