data_[Ta2Zn2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  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 [4.7201]
_cell_length_b [4.7201]
_cell_length_c [9.3236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [TaZnIrO6]
_chemical_formula_sum '[Ta2 Zn2 Ir2 O12]'
_cell_volume [207.7223]
_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  0.6680  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0002  1.0
  Ir  Ir2  2  0.0000  0.0000  0.3334  1.0
  O  O3  4  0.1895  0.8105  0.5004  1.0
  O  O4  4  0.2009  0.7991  0.1768  1.0
  O  O5  4  0.2087  0.7913  0.8220  1.0
]