data_[Hf12Nb4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5199]
_cell_length_b [3.1176]
_cell_length_c [8.3450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3NbRh]
_chemical_formula_sum '[Hf12 Nb4 Rh4]'
_cell_volume [403.0030]
_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  4  0.0533  0.0000  0.7293  1
  Hf  Hf1  4  0.0926  0.5000  0.0849  1
  Hf  Hf2  4  0.2431  0.5000  0.6674  1
  Nb  Nb3  4  0.0983  0.5000  0.4300  1
  Rh  Rh4  4  0.1971  0.0000  0.9115  1
]