data_[Cd6Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6042]
_cell_length_b [5.6979]
_cell_length_c [9.8484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cd3IrO6]
_chemical_formula_sum '[Cd6 Ir2 O12]'
_cell_volume [259.8443]
_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  4  0.2578  0.0426  0.7595  1.0
  Cd  Cd1  2  0.5000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.0786  0.2155  0.4220  1.0
  O  O4  4  0.2505  0.6660  0.4542  1.0
  O  O5  4  0.3353  0.0772  0.2240  1.0
]