# generated using pymatgen
data_BeW48S95
_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   BeW48S95
_chemical_formula_sum   'Be1 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
  Be  Be1  1  0.083331  0.853152  0.362143  1
  W  W2  1  0.002431  0.751946  0.507601  1
  W  W3  1  0.083333  0.873085  0.520404  1
  W  W4  1  0.000199  0.500680  0.499095  1
  W  W5  1  0.083333  0.627142  0.503152  1
  W  W6  1  0.164236  0.751945  0.507603  1
  W  W7  1  0.248802  0.872965  0.506094  1
  W  W8  1  0.000181  0.249732  0.498345  1
  W  W9  1  0.083333  0.375289  0.498044  1
  W  W10  1  0.166466  0.500681  0.499094  1
  W  W11  1  0.249559  0.625667  0.500431  1
  W  W12  1  0.332528  0.749349  0.501461  1
  W  W13  1  0.416549  0.874014  0.501251  1
  W  W14  1  0.000964  0.998575  0.503255  1
  W  W15  1  0.083334  0.124464  0.500192  1
  W  W16  1  0.166486  0.249732  0.498345  1
  W  W17  1  0.249823  0.375040  0.497591  1
  W  W18  1  0.333021  0.500247  0.497843  1
  W  W19  1  0.416515  0.624698  0.498669  1
  W  W20  1  0.499822  0.749325  0.499396  1
  W  W21  1  0.583334  0.874158  0.499886  1
  W  W22  1  0.165702  0.998575  0.503254  1
  W  W23  1  0.249621  0.124229  0.499679  1
  W  W24  1  0.333017  0.249605  0.497782  1
  W  W25  1  0.416361  0.374709  0.496941  1
  W  W26  1  0.499981  0.499683  0.497054  1
  W  W27  1  0.583333  0.624616  0.497922  1
  W  W28  1  0.666846  0.749324  0.499397  1
  W  W29  1  0.750118  0.874013  0.501250  1
  W  W30  1  0.332630  0.998973  0.501588  1
  W  W31  1  0.416304  0.124096  0.498857  1
  W  W32  1  0.499906  0.249294  0.497278  1
  W  W33  1  0.583333  0.374626  0.496647  1
  W  W34  1  0.666685  0.499683  0.497054  1
  W  W35  1  0.750152  0.624697  0.498670  1
  W  W36  1  0.834139  0.749348  0.501461  1
  W  W37  1  0.917864  0.872965  0.506094  1
  W  W38  1  0.499802  0.999002  0.499828  1
  W  W39  1  0.583334  0.124170  0.498364  1
  W  W40  1  0.666762  0.249293  0.497277  1
  W  W41  1  0.750304  0.374708  0.496941  1
  W  W42  1  0.833645  0.500246  0.497845  1
  W  W43  1  0.917108  0.625667  0.500431  1
  W  W44  1  0.666868  0.999001  0.499827  1
  W  W45  1  0.750364  0.124095  0.498854  1
  W  W46  1  0.833650  0.249605  0.497781  1
  W  W47  1  0.916842  0.375039  0.497592  1
  W  W48  1  0.834037  0.998972  0.501587  1
  W  W49  1  0.917047  0.124229  0.499678  1
  S  S50  1  0.164316  0.911042  0.395802  1
  S  S51  1  0.083332  0.544262  0.390005  1
  S  S52  1  0.164590  0.670750  0.393486  1
  S  S53  1  0.246230  0.791369  0.394366  1
  S  S54  1  0.331548  0.914839  0.392704  1
  S  S55  1  0.083333  0.291532  0.387539  1
  S  S56  1  0.166374  0.417498  0.387594  1
  S  S57  1  0.249131  0.542924  0.388398  1
  S  S58  1  0.332501  0.666994  0.389327  1
  S  S59  1  0.415515  0.791216  0.390000  1
  S  S60  1  0.499439  0.915567  0.389531  1
  S  S61  1  0.083333  0.040087  0.391577  1
  S  S62  1  0.166443  0.165652  0.388687  1
  S  S63  1  0.249583  0.291316  0.387205  1
  S  S64  1  0.332848  0.416915  0.386790  1
  S  S65  1  0.416231  0.541855  0.387057  1
  S  S66  1  0.499651  0.666584  0.387753  1
  S  S67  1  0.583334  0.791115  0.388745  1
  S  S68  1  0.667229  0.915566  0.389528  1
  S  S69  1  0.248806  0.039712  0.390975  1
  S  S70  1  0.332751  0.165458  0.388174  1
  S  S71  1  0.416295  0.290974  0.386747  1
  S  S72  1  0.499766  0.416367  0.386255  1
  S  S73  1  0.583333  0.541628  0.386540  1
  S  S74  1  0.667016  0.666583  0.387754  1
  S  S75  1  0.751153  0.791215  0.390000  1
  S  S76  1  0.835118  0.914839  0.392703  1
  S  S77  1  0.415677  0.040030  0.389436  1
  S  S78  1  0.499656  0.165339  0.387552  1
  S  S79  1  0.583333  0.290836  0.386522  1
  S  S80  1  0.666900  0.416367  0.386255  1
  S  S81  1  0.750435  0.541854  0.387058  1
  S  S82  1  0.834166  0.666993  0.389327  1
  S  S83  1  0.920437  0.791370  0.394365  1
  S  S84  1  0.002348  0.911043  0.395802  1
  S  S85  1  0.583334  0.040240  0.388678  1
  S  S86  1  0.667011  0.165339  0.387551  1
  S  S87  1  0.750371  0.290974  0.386747  1
  S  S88  1  0.833818  0.416914  0.386790  1
  S  S89  1  0.917534  0.542923  0.388398  1
  S  S90  1  0.002077  0.670750  0.393485  1
  S  S91  1  0.750992  0.040029  0.389433  1
  S  S92  1  0.833917  0.165457  0.388172  1
  S  S93  1  0.917084  0.291315  0.387205  1
  S  S94  1  0.000290  0.417498  0.387596  1
  S  S95  1  0.917862  0.039712  0.390974  1
  S  S96  1  0.000226  0.165652  0.388687  1
  S  S97  1  0.083333  0.789647  0.624512  1
  S  S98  1  0.168900  0.917696  0.621033  1
  S  S99  1  0.083333  0.541736  0.610790  1
  S  S100  1  0.167762  0.667205  0.614421  1
  S  S101  1  0.250273  0.789473  0.616627  1
  S  S102  1  0.334351  0.916014  0.613328  1
  S  S103  1  0.083333  0.291822  0.608810  1
  S  S104  1  0.166733  0.416671  0.608765  1
  S  S105  1  0.250181  0.541507  0.609770  1
  S  S106  1  0.333833  0.665662  0.610997  1
  S  S107  1  0.417005  0.790479  0.611460  1
  S  S108  1  0.500392  0.915950  0.611068  1
  S  S109  1  0.083334  0.042000  0.613065  1
  S  S110  1  0.166740  0.166834  0.610124  1
  S  S111  1  0.249983  0.291699  0.608451  1
  S  S112  1  0.333348  0.416528  0.607938  1
  S  S113  1  0.416857  0.541011  0.608479  1
  S  S114  1  0.500211  0.665735  0.609392  1
  S  S115  1  0.583334  0.790692  0.610242  1
  S  S116  1  0.666276  0.915950  0.611067  1
  S  S117  1  0.249779  0.041710  0.612043  1
  S  S118  1  0.333325  0.166551  0.609282  1
  S  S119  1  0.416655  0.291415  0.607768  1
  S  S120  1  0.499988  0.416199  0.607321  1
  S  S121  1  0.583332  0.540989  0.607947  1
  S  S122  1  0.666455  0.665734  0.609392  1
  S  S123  1  0.749663  0.790478  0.611460  1
  S  S124  1  0.832315  0.916014  0.613328  1
  S  S125  1  0.416805  0.041290  0.610690  1
  S  S126  1  0.499985  0.166282  0.608657  1
  S  S127  1  0.583334  0.291289  0.607442  1
  S  S128  1  0.666677  0.416199  0.607321  1
  S  S129  1  0.749808  0.541010  0.608480  1
  S  S130  1  0.832835  0.665661  0.610996  1
  S  S131  1  0.916394  0.789473  0.616626  1
  S  S132  1  0.997765  0.917696  0.621033  1
  S  S133  1  0.583335  0.041201  0.609869  1
  S  S134  1  0.666684  0.166280  0.608656  1
  S  S135  1  0.750011  0.291414  0.607768  1
  S  S136  1  0.833318  0.416527  0.607939  1
  S  S137  1  0.916485  0.541507  0.609771  1
  S  S138  1  0.998905  0.667206  0.614420  1
  S  S139  1  0.749863  0.041290  0.610689  1
  S  S140  1  0.833342  0.166549  0.609279  1
  S  S141  1  0.916684  0.291697  0.608451  1
  S  S142  1  0.999932  0.416670  0.608765  1
  S  S143  1  0.916888  0.041711  0.612043  1
  S  S144  1  0.999928  0.166834  0.610124  1
