# 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  0.804148  0.389955  1
  W  W2  1  0.003577  0.750194  0.506825  1
  W  W3  1  0.083334  0.875083  0.513475  1
  W  W4  1  -0.000086  0.500290  0.500561  1
  W  W5  1  0.083333  0.626471  0.503966  1
  W  W6  1  0.163089  0.750194  0.506824  1
  W  W7  1  0.247562  0.873992  0.504314  1
  W  W8  1  -0.000050  0.250205  0.499037  1
  W  W9  1  0.083333  0.375366  0.499604  1
  W  W10  1  0.166752  0.500290  0.500560  1
  W  W11  1  0.249527  0.625389  0.500678  1
  W  W12  1  0.332012  0.749703  0.500009  1
  W  W13  1  0.416450  0.874541  0.499446  1
  W  W14  1  0.000173  -0.000421  0.502331  1
  W  W15  1  0.083333  0.125320  0.500158  1
  W  W16  1  0.166717  0.250205  0.499037  1
  W  W17  1  0.249831  0.375238  0.498955  1
  W  W18  1  0.333257  0.500152  0.498879  1
  W  W19  1  0.416696  0.624932  0.498532  1
  W  W20  1  0.499533  0.749741  0.498090  1
  W  W21  1  0.583333  0.874588  0.498441  1
  W  W22  1  0.166494  -0.000421  0.502331  1
  W  W23  1  0.249740  0.124933  0.499387  1
  W  W24  1  0.333266  0.250015  0.498360  1
  W  W25  1  0.416685  0.375027  0.498040  1
  W  W26  1  0.499891  0.500020  0.497861  1
  W  W27  1  0.583333  0.624847  0.497777  1
  W  W28  1  0.667133  0.749741  0.498090  1
  W  W29  1  0.750217  0.874541  0.499446  1
  W  W30  1  0.332839  -0.000185  0.500287  1
  W  W31  1  0.416566  0.124666  0.498698  1
  W  W32  1  0.499872  0.249817  0.497947  1
  W  W33  1  0.583333  0.374874  0.497691  1
  W  W34  1  0.666776  0.500020  0.497861  1
  W  W35  1  0.749971  0.624932  0.498532  1
  W  W36  1  0.834655  0.749703  0.500008  1
  W  W37  1  0.919105  0.873992  0.504314  1
  W  W38  1  0.499667  -0.000510  0.498905  1
  W  W39  1  0.583333  0.124563  0.498388  1
  W  W40  1  0.666795  0.249817  0.497946  1
  W  W41  1  0.749982  0.375027  0.498040  1
  W  W42  1  0.833409  0.500152  0.498879  1
  W  W43  1  0.917139  0.625389  0.500679  1
  W  W44  1  0.667000  -0.000510  0.498904  1
  W  W45  1  0.750101  0.124666  0.498698  1
  W  W46  1  0.833401  0.250016  0.498359  1
  W  W47  1  0.916836  0.375238  0.498955  1
  W  W48  1  0.833828  -0.000185  0.500286  1
  W  W49  1  0.916927  0.124933  0.499386  1
  S  S50  1  0.164224  0.913830  0.394515  1
  S  S51  1  0.083333  0.543441  0.391343  1
  S  S52  1  0.164486  0.668624  0.392840  1
  S  S53  1  0.244881  0.791826  0.392639  1
  S  S54  1  0.330721  0.915428  0.391256  1
  S  S55  1  0.083333  0.292062  0.388515  1
  S  S56  1  0.166315  0.417391  0.388902  1
  S  S57  1  0.249253  0.542273  0.389280  1
  S  S58  1  0.332347  0.666724  0.388941  1
  S  S59  1  0.415139  0.791540  0.388445  1
  S  S60  1  0.499436  0.916255  0.388048  1
  S  S61  1  0.083333  0.041015  0.391103  1
  S  S62  1  0.166413  0.166566  0.388655  1
  S  S63  1  0.249800  0.291899  0.387935  1
  S  S64  1  0.332943  0.416896  0.387855  1
  S  S65  1  0.416189  0.541739  0.387519  1
  S  S66  1  0.499692  0.666578  0.387187  1
  S  S67  1  0.583333  0.791362  0.387511  1
  S  S68  1  0.667231  0.916255  0.388048  1
  S  S69  1  0.249122  0.040825  0.389838  1
  S  S70  1  0.332976  0.166270  0.388100  1
  S  S71  1  0.416427  0.291586  0.387268  1
  S  S72  1  0.499902  0.416646  0.387023  1
  S  S73  1  0.583333  0.541566  0.386968  1
  S  S74  1  0.666974  0.666578  0.387187  1
  S  S75  1  0.751527  0.791540  0.388445  1
  S  S76  1  0.835946  0.915428  0.391256  1
  S  S77  1  0.415917  0.040941  0.388505  1
  S  S78  1  0.499880  0.166162  0.387591  1
  S  S79  1  0.583333  0.291339  0.387103  1
  S  S80  1  0.666764  0.416646  0.387023  1
  S  S81  1  0.750477  0.541739  0.387520  1
  S  S82  1  0.834319  0.666724  0.388941  1
  S  S83  1  0.921786  0.791826  0.392639  1
  S  S84  1  0.002442  0.913829  0.394514  1
  S  S85  1  0.583333  0.040885  0.388110  1
  S  S86  1  0.666786  0.166162  0.387590  1
  S  S87  1  0.750240  0.291586  0.387267  1
  S  S88  1  0.833723  0.416897  0.387855  1
  S  S89  1  0.917414  0.542273  0.389280  1
  S  S90  1  0.002181  0.668624  0.392840  1
  S  S91  1  0.750749  0.040941  0.388504  1
  S  S92  1  0.833691  0.166271  0.388099  1
  S  S93  1  0.916867  0.291899  0.387934  1
  S  S94  1  0.000352  0.417391  0.388902  1
  S  S95  1  0.917545  0.040825  0.389838  1
  S  S96  1  0.000254  0.166566  0.388654  1
  S  S97  1  0.083333  0.791251  0.621663  1
  S  S98  1  0.168017  0.918456  0.618580  1
  S  S99  1  0.083333  0.541261  0.612169  1
  S  S100  1  0.167881  0.666547  0.615244  1
  S  S101  1  0.249984  0.790205  0.614415  1
  S  S102  1  0.333808  0.916381  0.611145  1
  S  S103  1  0.083333  0.291768  0.609891  1
  S  S104  1  0.166855  0.416572  0.610589  1
  S  S105  1  0.250563  0.541512  0.610843  1
  S  S106  1  0.333978  0.666384  0.610271  1
  S  S107  1  0.416570  0.791082  0.609711  1
  S  S108  1  0.500216  0.916180  0.609692  1
  S  S109  1  0.083333  0.042658  0.612000  1
  S  S110  1  0.166815  0.167186  0.610341  1
  S  S111  1  0.250269  0.291795  0.609514  1
  S  S112  1  0.333618  0.416614  0.609300  1
  S  S113  1  0.416967  0.541611  0.609241  1
  S  S114  1  0.500229  0.666487  0.608890  1
  S  S115  1  0.583333  0.791109  0.608702  1
  S  S116  1  0.666451  0.916180  0.609692  1
  S  S117  1  0.250405  0.042309  0.611414  1
  S  S118  1  0.333503  0.166795  0.609396  1
  S  S119  1  0.416758  0.291691  0.608839  1
  S  S120  1  0.500164  0.416637  0.608577  1
  S  S121  1  0.583333  0.541557  0.608563  1
  S  S122  1  0.666437  0.666487  0.608890  1
  S  S123  1  0.750097  0.791082  0.609710  1
  S  S124  1  0.832859  0.916381  0.611144  1
  S  S125  1  0.416791  0.041598  0.610068  1
  S  S126  1  0.500118  0.166573  0.609011  1
  S  S127  1  0.583334  0.291529  0.608508  1
  S  S128  1  0.666503  0.416637  0.608576  1
  S  S129  1  0.749699  0.541611  0.609241  1
  S  S130  1  0.832689  0.666384  0.610271  1
  S  S131  1  0.916683  0.790205  0.614415  1
  S  S132  1  -0.001350  0.918457  0.618580  1
  S  S133  1  0.583333  0.041264  0.609286  1
  S  S134  1  0.666549  0.166574  0.609010  1
  S  S135  1  0.749908  0.291691  0.608838  1
  S  S136  1  0.833049  0.416614  0.609300  1
  S  S137  1  0.916103  0.541512  0.610843  1
  S  S138  1  -0.001214  0.666547  0.615244  1
  S  S139  1  0.749876  0.041598  0.610068  1
  S  S140  1  0.833163  0.166795  0.609395  1
  S  S141  1  0.916398  0.291795  0.609514  1
  S  S142  1  -0.000189  0.416572  0.610589  1
  S  S143  1  0.916262  0.042310  0.611413  1
  S  S144  1  -0.000148  0.167186  0.610341  1
