data_[Ta2In2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  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 [4.7793]
_cell_length_b [4.7793]
_cell_length_c [9.6135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [TaInIrO6]
_chemical_formula_sum '[Ta2 In2 Ir2 O12]'
_cell_volume [219.5897]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.6698  1
  In  In1  2  0.0000  0.0000  0.0003  1
  Ir  Ir2  2  0.0000  0.0000  0.3326  1
  O  O3  4  0.1815  0.8185  0.5029  1
  O  O4  4  0.2009  0.7991  0.1770  1
  O  O5  4  0.2056  0.7944  0.8188  1
]