data_[Cs4Ba8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.6279]
_cell_length_b [22.1166]
_cell_length_c [7.0394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [CsBa2O]
_chemical_formula_sum '[Cs4 Ba8 O4]'
_cell_volume [1031.8850]
_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
[
  Cs  Cs0  4  0.0000  0.2500  0.7421  1.0
  Ba  Ba1  8  0.0000  0.0597  0.1986  1.0
  O  O2  4  0.2500  0.0000  0.0000  1.0
]