data_[Ba20Bi8As4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6091]
_cell_length_b [20.6591]
_cell_length_c [15.6418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Bi2AsO]
_chemical_formula_sum '[Ba20 Bi8 As4 O4]'
_cell_volume [1489.4266]
_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  0.0269  0.9993  1.0
  Ba  Ba1  4  0.0000  0.2929  0.6747  1.0
  Ba  Ba2  4  0.0000  0.3331  0.3850  1.0
  Ba  Ba3  4  0.0000  0.3389  0.0101  1.0
  Ba  Ba4  4  0.0000  0.4912  0.7812  1.0
  Bi  Bi5  4  0.0000  0.1096  0.6841  1.0
  Bi  Bi6  4  0.0000  0.1386  0.3362  1.0
  As  As7  4  0.0000  0.1852  0.0310  1.0
  O  O8  4  0.0000  0.4570  0.4226  1.0
]