data_[Hf6Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2770]
_cell_length_b [4.0777]
_cell_length_c [5.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3Sb4]
_chemical_formula_sum '[Hf6 Sb8]'
_cell_volume [368.1948]
_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  0.1948  0.0000  0.7702  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.0583  0.5000  0.7023  1
  Sb  Sb3  4  0.1678  0.0000  0.2603  1
]