data_[Mg2Cr2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P-31c]
_cell_length_a [5.0497]
_cell_length_b [5.0497]
_cell_length_c [8.5681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [MgCrIrO6]
_chemical_formula_sum '[Mg2 Cr2 Ir2 O12]'
_cell_volume [189.2096]
_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  2  0.3333  0.6667  0.2500  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  Ir  Ir2  2  0.3333  0.6667  0.7500  1
  O  O3  12  0.0178  0.3451  0.6247  1
]