data_[Mg4Fe2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  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 [5.1401]
_cell_length_b [5.3212]
_cell_length_c [9.1376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg2FeIrO6]
_chemical_formula_sum '[Mg4 Fe2 Ir2 O12]'
_cell_volume [207.4003]
_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
[
  Mg  Mg0  4  0.2369  0.0598  0.2478  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1124  0.1849  0.9301  1.0
  O  O4  4  0.2504  0.6885  0.9273  1.0
  O  O5  4  0.3887  0.0696  0.7544  1.0
]