data_[Hf8In8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1950]
_cell_length_b [4.8003]
_cell_length_c [6.0686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfIn]
_chemical_formula_sum '[Hf8 In8]'
_cell_volume [355.2496]
_cell_formula_units_Z [8]
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  0.0705  0.2500  0.6336  1.0
  Hf  Hf1  4  0.1844  0.7500  0.8851  1.0
  In  In2  4  0.0674  0.2500  0.1339  1.0
  In  In3  4  0.1784  0.7500  0.3880  1.0
]