data_[Hf8Ti6]
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
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.1980]
_cell_length_b [8.1980]
_cell_length_c [4.8723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Hf4Ti3]
_chemical_formula_sum '[Hf8 Ti6]'
_cell_volume [283.5839]
_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  6  0.0929  0.6323  0.7500  1
  Hf  Hf1  2  0.3333  0.6667  0.2500  1
  Ti  Ti2  6  0.0405  0.8180  0.2500  1
]