data_BiB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   151.12
_cell_angle_beta   151.12
_cell_angle_gamma   41.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Au
_chemical_formula_sum   'Bi1 B2 Au1'
_cell_volume   70.72
_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
  Bi  Bi3  1  0.68  0.0  0.15  1.0
  B  B1  1  0.0  0.68  0.15  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.29  1.0

data_BiB2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   6.72
_cell_angle_alpha   104.44
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Au
_chemical_formula_sum   'Bi1 B2 Au1'
_cell_volume   70.72
_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
  Bi  Bi0  1  0.15  0.47  0.47  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.47  0.15  0.47  1.0
  Au  Au3  1  0.29  0.29  0.29  1.0

Bi B B Au