data_[Mg3Ir3Rh6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2276]
_cell_length_b [5.2276]
_cell_length_c [13.8898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [MgIr(RhO3)2]
_chemical_formula_sum '[Mg3 Ir3 Rh6 O18]'
_cell_volume [328.7264]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1886  1.0
  Ir  Ir1  3  0.0000  0.0000  0.6771  1.0
  Rh  Rh2  3  0.0000  0.0000  0.4825  1.0
  Rh  Rh3  3  0.0000  0.0000  0.9881  1.0
  O  O4  9  0.0007  0.6956  0.5851  1.0
  O  O5  9  0.0273  0.3520  0.7486  1.0
]