data_BW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   145.38
_cell_angle_beta   127.73
_cell_angle_gamma   64.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BW2Au
_chemical_formula_sum   'B1 W2 Au1'
_cell_volume   56.13
_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
  B  B1  1  0.0  0.0  0.4  1.0
  W  W2  1  0.0  0.21  0.81  1.0
  W  W3  1  0.0  0.0  0.17  1.0
  Au  Au0  1  0.0  0.21  0.37  1.0

data_BW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.42
_cell_length_c   5.02
_cell_angle_alpha   116.13
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BW2Au
_chemical_formula_sum   'B1 W2 Au1'
_cell_volume   56.13
_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
  B  B0  1  0.6  0.6  0.6  1.0
  W  W1  1  0.19  0.4  0.4  1.0
  W  W2  1  0.83  0.83  0.83  1.0
  Au  Au3  1  0.63  0.84  0.84  1.0

B W W Au