data_[Hf2Pt4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8113]
_cell_length_b [6.2623]
_cell_length_c [7.3752]
_cell_angle_alpha [89.9320]
_cell_angle_beta [89.8258]
_cell_angle_gamma [75.2808]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hf(PtRh2)2]
_chemical_formula_sum '[Hf2 Pt4 Rh8]'
_cell_volume [214.9202]
_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  1  0.6963  0.5008  0.4097  1
  Hf  Hf1  1  0.6970  0.9998  0.9135  1
  Rh  Rh2  1  0.1181  0.7213  0.3320  1
  Rh  Rh3  1  0.1186  0.2198  0.8383  1
  Rh  Rh4  1  0.2722  0.2827  0.4833  1
  Rh  Rh5  1  0.2743  0.7815  0.9891  1
  Pt  Pt6  1  0.4034  0.3624  0.1269  1
  Pt  Pt7  1  0.4065  0.8593  0.6283  1
  Rh  Rh8  1  0.5486  0.9361  0.2657  1
  Rh  Rh9  1  0.5514  0.4334  0.7696  1
  Pt  Pt10  1  0.8403  0.0694  0.5517  1
  Rh  Rh11  1  0.8413  0.5638  0.0541  1
  Pt  Pt12  1  0.9898  0.6358  0.6954  1
  Rh  Rh13  1  0.9921  0.1340  0.1925  1
]