data_B2IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   146.76
_cell_angle_beta   100.21
_cell_angle_gamma   89.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrAu
_chemical_formula_sum   'B2 Ir1 Au1'
_cell_volume   56.42
_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  0.36  0.0  0.6  1.0
  B  B2  1  0.0  0.05  0.79  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.39  1.0

data_B2IrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   79.79
_cell_angle_beta   73.38
_cell_angle_gamma   73.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrAu
_chemical_formula_sum   'B2 Ir1 Au1'
_cell_volume   56.42
_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  0.64  0.6  1.0
  B  B1  1  0.05  -0.0  0.73  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.39  1.0

B B Ir Au