data_[Ba8Cd8Se8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Pbca]
_cell_length_a [6.4614]
_cell_length_b [8.5542]
_cell_length_c [13.9029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [BaCdSeO]
_chemical_formula_sum '[Ba8 Cd8 Se8 O8]'
_cell_volume [768.4445]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  8  0.2362  0.1288  0.6497  1
  Cd  Cd1  8  0.2396  0.1258  0.3573  1
  Se  Se2  8  0.2421  0.1230  0.9621  1
  O  O3  8  0.0399  0.6412  0.2362  1
]