data_[Hf4Ti4Sb6]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6387]
_cell_length_b [7.0261]
_cell_length_c [7.7452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf2Ti2Sb3]
_chemical_formula_sum '[Hf4 Ti4 Sb6]'
_cell_volume [304.7524]
_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  0.1200  0.1259  0.3491  1
  Ti  Ti1  4  0.4002  0.7011  0.4972  1
  Sb  Sb2  4  0.3760  0.0367  0.6968  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
]