data_[Hf12Bi6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9996]
_cell_length_b [7.4931]
_cell_length_c [11.2453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6Bi3Ru]
_chemical_formula_sum '[Hf12 Bi6 Ru2]'
_cell_volume [487.3560]
_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  0.0165  0.0735  0.2447  1
  Hf  Hf1  4  0.1585  0.6862  0.0382  1
  Hf  Hf2  4  0.3566  0.1473  0.0351  1
  Bi  Bi3  4  0.3455  0.1311  0.7522  1
  Bi  Bi4  2  0.5000  0.0000  0.5000  1
  Ru  Ru5  2  0.0000  0.0000  0.0000  1
]