data_[Ba20Sb8Au4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  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 [4.9689]
_cell_length_b [20.1521]
_cell_length_c [13.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Sb2AuO]
_chemical_formula_sum '[Ba20 Sb8 Au4 O4]'
_cell_volume [1395.9004]
_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  0.0098  0.9825  1.0
  Ba  Ba1  4  0.0000  0.2812  0.6955  1.0
  Ba  Ba2  4  0.0000  0.3405  0.0153  1.0
  Ba  Ba3  4  0.0000  0.3481  0.3789  1.0
  Ba  Ba4  4  0.0000  0.4784  0.7562  1.0
  Sb  Sb5  4  0.0000  0.1051  0.6921  1.0
  Sb  Sb6  4  0.0000  0.1449  0.3358  1.0
  Au  Au7  4  0.0000  0.1750  0.0489  1.0
  O  O8  4  0.0000  0.4717  0.4188  1.0
]