data_[Cs4Ba2Se4O12]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4925]
_cell_length_b [6.6305]
_cell_length_c [7.6197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ba(SeO3)2]
_chemical_formula_sum '[Cs4 Ba2 Se4 O12]'
_cell_volume [565.5176]
_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  0.1983  0.0000  0.7153  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Se  Se2  4  0.1249  0.0000  0.2114  1.0
  O  O3  8  0.0798  0.2040  0.3201  1.0
  O  O4  4  0.2215  0.5000  0.7143  1.0
]