data_[Zn4Cr2Ir2O12]
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 [P2_1/c]
_cell_length_a [5.2331]
_cell_length_b [5.2249]
_cell_length_c [9.2399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zn2CrIrO6]
_chemical_formula_sum '[Zn4 Cr2 Ir2 O12]'
_cell_volume [208.9990]
_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  4  0.2397  0.5325  0.7492  1
  Cr  Cr1  2  0.0000  0.0000  0.5000  1
  Ir  Ir2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1352  0.5849  0.2526  1
  O  O4  4  0.2393  0.1739  0.0627  1
  O  O5  4  0.3948  0.6767  0.0665  1
]