data_[Hf8Sn4Sb2]
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 [C2/m]
_cell_length_a [14.7225]
_cell_length_b [3.3626]
_cell_length_c [7.3866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4Sn2Sb]
_chemical_formula_sum '[Hf8 Sn4 Sb2]'
_cell_volume [327.5766]
_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  0.0793  0.0000  0.7038  1
  Hf  Hf1  4  0.1326  0.5000  0.4011  1
  Sn  Sn2  4  0.2268  0.0000  0.1662  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
]