data_[Hf12Sn4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [8.6315]
_cell_length_b [9.0905]
_cell_length_c [5.0312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Hf6Sn2Sb]
_chemical_formula_sum '[Hf12 Sn4 Sb2]'
_cell_volume [394.7767]
_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  0.0020  0.1652  0.0000  1.0
  Hf  Hf1  4  0.1603  0.5888  0.5000  1.0
  Hf  Hf2  4  0.1673  0.9238  0.5000  1.0
  Sn  Sn3  4  0.1681  0.2531  0.5000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
]