data_[Hf24Fe8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.6051]
_cell_length_b [8.7443]
_cell_length_c [8.9973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf6Fe2Rh]
_chemical_formula_sum '[Hf24 Fe8 Rh4]'
_cell_volume [677.0072]
_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  0.0000  0.3070  0.3253  1.0
  Hf  Hf1  8  0.1865  0.2726  0.0000  1.0
  Hf  Hf2  8  0.1932  0.0000  0.2472  1.0
  Fe  Fe3  4  0.0000  0.5000  0.1163  1.0
  Fe  Fe4  4  0.1606  0.5000  0.5000  1.0
  Rh  Rh5  2  0.0000  0.0000  0.0000  1.0
  Rh  Rh6  2  0.0000  0.0000  0.5000  1.0
]