data_[Hf12In4Sb2]
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 [P4_2/mnm]
_cell_length_a [9.4367]
_cell_length_b [9.4367]
_cell_length_c [4.5367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Hf6In2Sb]
_chemical_formula_sum '[Hf12 In4 Sb2]'
_cell_volume [403.9988]
_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  0.0298  0.6622  0.0000  1.0
  Hf  Hf1  4  0.1378  0.1378  0.5000  1.0
  In  In2  4  0.2066  0.7934  0.5000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
]