data_[Mn2Zn4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [P2_1/c]
_cell_length_a [5.1702]
_cell_length_b [5.1777]
_cell_length_c [9.4873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnZn2IrO6]
_chemical_formula_sum '[Mn2 Zn4 Ir2 O12]'
_cell_volume [213.7374]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn1  4  0.2509  0.0317  0.2459  1.0
  Ir  Ir2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1122  0.1769  0.9380  1.0
  O  O4  4  0.2540  0.6778  0.9262  1.0
  O  O5  4  0.3891  0.0907  0.7682  1.0
]