data_[Cd4Se4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.5980]
_cell_length_b [9.6077]
_cell_length_c [7.2702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdSeO3]
_chemical_formula_sum '[Cd4 Se4 O12]'
_cell_volume [321.1643]
_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
[
  Cd  Cd0  4  0.2063  0.2054  0.5391  1.0
  Se  Se1  4  0.2535  0.5626  0.6936  1.0
  O  O2  4  0.1132  0.1065  0.8330  1.0
  O  O3  4  0.2361  0.1115  0.2534  1.0
  O  O4  4  0.3051  0.6423  0.9057  1.0
]