data_[Ba4Au4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4530]
_cell_length_b [10.3387]
_cell_length_c [3.9326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAuO2]
_chemical_formula_sum '[Ba4 Au4 O8]'
_cell_volume [303.0169]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.0000  1.0
  Au  Au1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.0000  0.5000  0.5000  1.0
  O  O3  4  0.0000  0.3011  0.5000  1.0
  O  O4  4  0.2468  0.0000  0.2718  1.0
]