data_[Mg4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.8427]
_cell_length_b [8.9220]
_cell_length_c [5.4612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MgRh3]
_chemical_formula_sum '[Mg4 Rh12]'
_cell_volume [235.9593]
_cell_formula_units_Z [4]
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  0.0757  0.2500  0.3829  1.0
  Rh  Rh1  8  0.2350  0.5043  0.1258  1.0
  Rh  Rh2  4  0.0849  0.2500  0.8732  1.0
]