data_[Hf36Co18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.4098]
_cell_length_b [11.4098]
_cell_length_c [10.2821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hf12Co6Rh]
_chemical_formula_sum '[Hf36 Co18 Rh3]'
_cell_volume [1159.2334]
_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
[
  Hf  Hf0  18  0.0324  0.8169  0.3924  1
  Hf  Hf1  18  0.0374  0.8185  0.8884  1
  Co  Co2  18  0.0470  0.7867  0.6500  1
  Rh  Rh3  3  0.0000  0.0000  0.0000  1
]