data_[Ba8Ca4Cd4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.2846]
_cell_length_b [7.4189]
_cell_length_c [10.4931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ba2CaCdO4]
_chemical_formula_sum '[Ba8 Ca4 Cd4 O16]'
_cell_volume [567.0871]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.0000  1
  Ba  Ba1  4  0.2500  0.2500  0.7500  1
  Ca  Ca2  4  0.2500  0.2500  0.2500  1
  Cd  Cd3  4  0.0000  0.0000  0.5000  1
  O  O4  8  0.0000  0.0222  0.2545  1
  O  O5  8  0.2311  0.2500  0.4895  1
]