data_[Ba20As8Au4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  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 [4.7892]
_cell_length_b [19.5620]
_cell_length_c [13.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5As2AuO]
_chemical_formula_sum '[Ba20 As8 Au4 O4]'
_cell_volume [1256.5648]
_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  0.0017  0.4824  1.0
  Ba  Ba1  4  0.0000  0.2772  0.7075  1.0
  Ba  Ba2  4  0.0000  0.3374  0.0140  1.0
  Ba  Ba3  4  0.0000  0.3542  0.3739  1.0
  Ba  Ba4  4  0.0000  0.4719  0.7436  1.0
  As  As5  4  0.0000  0.1046  0.6909  1.0
  As  As6  4  0.0000  0.1488  0.3387  1.0
  Au  Au7  4  0.0000  0.1656  0.0576  1.0
  O  O8  4  0.0000  0.4814  0.4155  1.0
]