data_[Cd4H8Se4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.7821]
_cell_length_b [5.8855]
_cell_length_c [4.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CdH2SeO4]
_chemical_formula_sum '[Cd4 H8 Se4 O16]'
_cell_volume [375.7229]
_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  0.2256  0.7500  0.4029  1
  H  H1  8  0.1070  0.6172  0.9511  1
  Se  Se2  4  0.0826  0.2500  0.4979  1
  O  O3  8  0.1517  0.0284  0.6560  1
  O  O4  4  0.0997  0.7500  0.0729  1
  O  O5  4  0.1305  0.2500  0.1844  1
]