data_[Hf36Rh18O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.3001]
_cell_length_b [11.3001]
_cell_length_c [10.3711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hf12Rh6O]
_chemical_formula_sum '[Hf36 Rh18 O3]'
_cell_volume [1146.8808]
_cell_formula_units_Z [3]
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  18  0.0305  0.8308  0.3846  1
  Hf  Hf1  18  0.0525  0.8695  0.8713  1
  Rh  Rh2  18  0.0440  0.6127  0.3078  1
  O  O3  3  0.0000  0.0000  0.0000  1
]