data_[Hf10Bi12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2624]
_cell_length_b [12.4024]
_cell_length_c [7.1795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5Bi6]
_chemical_formula_sum '[Hf10 Bi12]'
_cell_volume [609.8342]
_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  0.0000  0.1818  0.5000  1
  Hf  Hf1  4  0.0000  0.3393  0.0000  1
  Hf  Hf2  2  0.0000  0.5000  0.5000  1
  Bi  Bi3  8  0.2276  0.1539  0.2300  1
  Bi  Bi4  4  0.2276  0.0000  0.7493  1
]