data_[Cd6Se2O12]
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 [5.4796]
_cell_length_b [5.6339]
_cell_length_c [9.6377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd3SeO6]
_chemical_formula_sum '[Cd6 Se2 O12]'
_cell_volume [246.4218]
_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
[
  Cd  Cd0  4  0.2401  0.0480  0.7550  1.0
  Cd  Cd1  2  0.5000  0.0000  0.5000  1.0
  Se  Se2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.0882  0.2342  0.4233  1.0
  O  O4  4  0.2179  0.6777  0.4475  1.0
  O  O5  4  0.3320  0.0623  0.2147  1.0
]