data_[Ba4Cd2Mo2O12]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [5.9645]
_cell_length_b [5.9645]
_cell_length_c [8.5327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ba2CdMoO6]
_chemical_formula_sum '[Ba4 Cd2 Mo2 O12]'
_cell_volume [303.5493]
_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
[
  Ba  Ba0  4  0.0000  0.5000  0.2500  1
  Cd  Cd1  2  0.0000  0.0000  0.5000  1
  Mo  Mo2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.1962  0.7378  0.0000  1
  O  O4  4  0.0000  0.0000  0.2290  1
]