data_[Cs4Cu2Se4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  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 [13.9896]
_cell_length_b [5.4024]
_cell_length_c [7.7554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Cu(SeO3)2]
_chemical_formula_sum '[Cs4 Cu2 Se4 O12]'
_cell_volume [497.9163]
_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  0.2060  0.5000  0.2181  1.0
  Cu  Cu1  2  0.0000  0.5000  0.5000  1.0
  Se  Se2  4  0.0224  0.0000  0.7916  1.0
  O  O3  8  0.0702  0.2558  0.7206  1.0
  O  O4  4  0.1200  0.0000  0.3474  1.0
]