data_[Th2Bi2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  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 [5.1241]
_cell_length_b [5.1241]
_cell_length_c [10.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [ThBiIrO6]
_chemical_formula_sum '[Th2 Bi2 Ir2 O12]'
_cell_volume [271.9122]
_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  0.9991  1
  Bi  Bi1  2  0.0000  0.0000  0.6652  1
  Ir  Ir2  2  0.0000  0.0000  0.3325  1
  O  O3  4  0.1799  0.8201  0.1832  1
  O  O4  4  0.1827  0.8173  0.4789  1
  O  O5  4  0.2288  0.7712  0.8395  1
]