data_[Cd2Se2O8]
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 [Pmn2_1]
_cell_length_a [6.6667]
_cell_length_b [5.0919]
_cell_length_c [5.1177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CdSeO4]
_chemical_formula_sum '[Cd2 Se2 O8]'
_cell_volume [173.7256]
_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  2  0.0000  0.9023  0.0243  1.0
  Se  Se1  2  0.0000  0.3415  0.4761  1.0
  O  O2  4  0.1970  0.1853  0.3342  1.0
  O  O3  2  0.0000  0.3059  0.7997  1.0
  O  O4  2  0.0000  0.6593  0.4033  1.0
]