data_[Hf3Ir1Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.6201]
_cell_length_b [4.6201]
_cell_length_c [5.6924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Hf3IrRh2]
_chemical_formula_sum '[Hf3 Ir1 Rh2]'
_cell_volume [105.2294]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.1643  1
  Hf  Hf1  1  0.0000  0.0000  0.5000  1
  Ir  Ir2  1  0.0000  0.0000  0.0000  1
  Rh  Rh3  2  0.3333  0.6667  0.6549  1
]