data_[Cs4Ba4O6]
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 [8.6343]
_cell_length_b [6.9223]
_cell_length_c [7.3545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2Ba2O3]
_chemical_formula_sum '[Cs4 Ba4 O6]'
_cell_volume [408.9339]
_cell_formula_units_Z [2]
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  0.3725  0.1962  0.1015  1.0
  Ba  Ba1  4  0.1252  0.7446  0.8057  1.0
  O  O2  4  0.2938  0.5921  0.1313  1.0
  O  O3  2  0.0000  0.0000  0.0000  1.0
]