data_[Th2Co2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9139]
_cell_length_b [4.9139]
_cell_length_c [9.8121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [ThCoIrO6]
_chemical_formula_sum '[Th2 Co2 Ir2 O12]'
_cell_volume [236.9299]
_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
[
  Th  Th0  2  0.0000  0.0000  0.6679  1
  Co  Co1  2  0.0000  0.0000  0.0016  1
  Ir  Ir2  2  0.0000  0.0000  0.3348  1
  O  O3  4  0.1746  0.8254  0.1762  1
  O  O4  4  0.2002  0.7998  0.4779  1
  O  O5  4  0.2199  0.7801  0.8437  1
]