data_[Ba2Bi4Ir2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0236]
_cell_length_b [4.9510]
_cell_length_c [11.1056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaBi2IrAu]
_chemical_formula_sum '[Ba2 Bi4 Ir2 Au2]'
_cell_volume [276.0736]
_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
[
  Ba  Ba0  2  0.2706  0.2500  0.7522  1
  Bi  Bi1  2  0.2001  0.2500  0.1418  1
  Bi  Bi2  2  0.2488  0.7500  0.5013  1
  Ir  Ir3  2  0.2428  0.2500  0.3860  1
  Au  Au4  2  0.3083  0.7500  0.9993  1
]