data_[Zn2Cr2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  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 [4.5653]
_cell_length_b [4.5653]
_cell_length_c [9.1980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [ZnCrIrO6]
_chemical_formula_sum '[Zn2 Cr2 Ir2 O12]'
_cell_volume [191.7015]
_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
[
  Zn  Zn0  2  0.0000  0.0000  0.3325  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0014  1.0
  Ir  Ir2  2  0.0000  0.0000  0.6667  1.0
  O  O3  4  0.1876  0.8124  0.8347  1.0
  O  O4  4  0.2046  0.7954  0.1578  1.0
  O  O5  4  0.2077  0.7923  0.5072  1.0
]