data_BIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   130.46
_cell_angle_beta   130.46
_cell_angle_gamma   72.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIr2Au
_chemical_formula_sum   'B1 Ir2 Au1'
_cell_volume   55.89
_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  0.0  1.0
  Ir  Ir2  1  0.94  0.0  0.86  1.0
  Ir  Ir3  1  0.0  0.0  0.72  1.0
  Au  Au0  1  0.0  0.94  0.86  1.0

data_BIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   4.62
_cell_angle_alpha   114.77
_cell_angle_beta   114.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BIr2Au
_chemical_formula_sum   'B1 Ir2 Au1'
_cell_volume   55.89
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.14  0.0  0.08  1.0
  Ir  Ir2  1  0.28  0.0  0.28  1.0
  Au  Au3  1  0.08  0.94  0.08  1.0

B Ir Ir Au