data_[Hf6Ti4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2780]
_cell_length_b [4.0396]
_cell_length_c [9.6028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(TiBi2)2]
_chemical_formula_sum '[Hf6 Ti4 Bi8]'
_cell_volume [421.3717]
_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  0.1548  0.5000  0.6719  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  4  0.1882  0.5000  0.3584  1.0
  Bi  Bi3  4  0.0343  0.0000  0.3545  1.0
  Bi  Bi4  4  0.1657  0.5000  0.0306  1.0
]