data_[Hf20Ti4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9513]
_cell_length_b [8.1262]
_cell_length_c [9.5943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5TiRh3]
_chemical_formula_sum '[Hf20 Ti4 Rh12]'
_cell_volume [759.8383]
_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
[
  Hf  Hf0  8  0.1844  0.2091  0.6446  1
  Hf  Hf1  4  0.0000  0.3149  0.0000  1
  Hf  Hf2  4  0.0367  0.5000  0.3205  1
  Hf  Hf3  4  0.2348  0.5000  0.8758  1
  Ti  Ti4  4  0.0285  0.0000  0.2551  1
  Rh  Rh5  4  0.2251  0.5000  0.1443  1
  Rh  Rh6  4  0.2340  0.5000  0.5651  1
  Rh  Rh7  2  0.0000  0.0000  0.0000  1
  Rh  Rh8  2  0.0000  0.0000  0.5000  1
]