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 [6.7119]
_cell_length_b [4.8596]
_cell_length_c [4.9330]
_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 [160.9033]
_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  0.8689  0.0034  1
  Se  Se1  2  0.0000  0.3442  0.4790  1
  O  O2  4  0.1950  0.1912  0.3273  1
  O  O3  2  0.0000  0.3055  0.8149  1
  O  O4  2  0.0000  0.6810  0.4199  1
]