data_[Ba20Ag8Au4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6204]
_cell_length_b [20.5267]
_cell_length_c [14.8320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Ag2AuO]
_chemical_formula_sum '[Ba20 Ag8 Au4 O4]'
_cell_volume [1406.7092]
_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  0.0000  0.0224  0.9879  1.0
  Ba  Ba1  4  0.0000  0.2898  0.6932  1.0
  Ba  Ba2  4  0.0000  0.3339  0.3804  1.0
  Ba  Ba3  4  0.0000  0.3400  0.0174  1.0
  Ba  Ba4  4  0.0000  0.4907  0.7627  1.0
  Ag  Ag5  4  0.0000  0.1129  0.6860  1.0
  Ag  Ag6  4  0.0000  0.1327  0.3407  1.0
  Au  Au7  4  0.0000  0.1821  0.0435  1.0
  O  O8  4  0.0000  0.4568  0.4120  1.0
]