data_[Mg6Ge6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2865]
_cell_length_b [4.2865]
_cell_length_c [19.5717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgGeRh]
_chemical_formula_sum '[Mg6 Ge6 Rh6]'
_cell_volume [311.4269]
_cell_formula_units_Z [6]
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  0.8110  1.0
  Mg  Mg1  3  0.0000  0.0000  0.9709  1.0
  Ge  Ge2  3  0.0000  0.0000  0.3819  1.0
  Ge  Ge3  3  0.0000  0.0000  0.5467  1.0
  Rh  Rh4  3  0.0000  0.0000  0.2457  1.0
  Rh  Rh5  3  0.0000  0.0000  0.6767  1.0
]