data_[Hf12In3Pb1]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4352]
_cell_length_b [4.4352]
_cell_length_c [17.7710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Hf12In3Pb]
_chemical_formula_sum '[Hf12 In3 Pb1]'
_cell_volume [349.5691]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.1279  1
  Hf  Hf1  4  0.0000  0.5000  0.3758  1
  Hf  Hf2  2  0.5000  0.5000  0.2519  1
  Hf  Hf3  1  0.5000  0.5000  0.0000  1
  Hf  Hf4  1  0.5000  0.5000  0.5000  1
  In  In5  2  0.0000  0.0000  0.2513  1
  In  In6  1  0.0000  0.0000  0.5000  1
  Pb  Pb7  1  0.0000  0.0000  0.0000  1
]