data_[Cs8Ba4O8]
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 [P2_1/c]
_cell_length_a [10.2193]
_cell_length_b [7.7144]
_cell_length_c [7.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2BaO2]
_chemical_formula_sum '[Cs8 Ba4 O8]'
_cell_volume [609.1536]
_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  0.0220  0.2481  0.0227  1.0
  Cs  Cs1  4  0.3107  0.6275  0.8753  1.0
  Ba  Ba2  4  0.3700  0.1033  0.8368  1.0
  O  O3  4  0.1522  0.5577  0.2331  1.0
  O  O4  4  0.4485  0.1310  0.1690  1.0
]