data_[B4Ir2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.3840]
_cell_length_b [3.1615]
_cell_length_c [5.7668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [B2IrAu]
_chemical_formula_sum '[B4 Ir2 Au2]'
_cell_volume [97.1831]
_cell_formula_units_Z [2]
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  2  0.2600  0.5000  0.5699  1
  B  B1  2  0.4332  0.0000  0.5773  1
  Ir  Ir2  2  0.1317  0.0000  0.7990  1
  Au  Au3  2  0.0096  0.5000  0.1967  1
]