data_[Hf12Ir2Rh6]
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 [P2_1/c]
_cell_length_a [6.9732]
_cell_length_b [6.6237]
_cell_length_c [10.9519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6IrRh3]
_chemical_formula_sum '[Hf12 Ir2 Rh6]'
_cell_volume [404.0982]
_cell_formula_units_Z [2]
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  0.0235  0.5791  0.7513  1
  Hf  Hf1  4  0.2184  0.1488  0.5654  1
  Hf  Hf2  4  0.3994  0.6604  0.5678  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
  Rh  Rh4  4  0.3264  0.6508  0.2798  1
  Rh  Rh5  2  0.5000  0.0000  0.5000  1
]