data_[Hf16In6Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1876]
_cell_length_b [8.1717]
_cell_length_c [5.7825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8In3Sb2]
_chemical_formula_sum '[Hf16 In6 Sb4]'
_cell_volume [622.9465]
_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  8  0.1241  0.3207  0.4001  1
  Hf  Hf1  4  0.0996  0.5000  0.9092  1
  Hf  Hf2  4  0.1906  0.0000  0.8331  1
  In  In3  4  0.0000  0.1841  0.0000  1
  In  In4  2  0.0000  0.0000  0.5000  1
  Sb  Sb5  4  0.2182  0.0000  0.3362  1
]