data_[Ba8Bi4As4Au2]
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
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4506]
_cell_length_b [9.2029]
_cell_length_c [5.4252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Bi2As2Au]
_chemical_formula_sum '[Ba8 Bi4 As4 Au2]'
_cell_volume [669.2951]
_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  8  0.1407  0.2372  0.2311  1.0
  Bi  Bi1  4  0.0630  0.5000  0.7498  1.0
  As  As2  4  0.1715  0.0000  0.7349  1.0
  Au  Au3  2  0.0000  0.0000  0.5000  1.0
]