data_[Mg3Fe6Rh3]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8020]
_cell_length_b [2.8020]
_cell_length_c [24.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgFe2Rh]
_chemical_formula_sum '[Mg3 Fe6 Rh3]'
_cell_volume [169.7577]
_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  0.5004  1
  Fe  Fe1  3  0.0000  0.0000  0.0029  1
  Fe  Fe2  3  0.0000  0.0000  0.7421  1
  Rh  Rh3  3  0.0000  0.0000  0.2545  1
]