data_[Mg3H6Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [4.7817]
_cell_length_b [4.7817]
_cell_length_c [5.7962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [MgH2Rh]
_chemical_formula_sum '[Mg3 H6 Rh3]'
_cell_volume [114.7753]
_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  0.3286  0.6667  1.0
  H  H1  6  0.1241  0.6254  0.9747  1.0
  Rh  Rh2  3  0.0000  0.3010  0.1667  1.0
]