data_[Hf18Ga36Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [10.5907]
_cell_length_b [10.5907]
_cell_length_c [10.8383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Hf3Ga6Rh]
_chemical_formula_sum '[Hf18 Ga36 Rh6]'
_cell_volume [1052.7794]
_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
[
  Hf  Hf0  18  0.0000  0.5694  0.2500  1.0
  Ga  Ga1  36  0.0641  0.2043  0.8479  1.0
  Rh  Rh2  6  0.0000  0.0000  0.0000  1.0
]