data_[Hf12In4Pb2]
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 [Pnnm]
_cell_length_a [8.6775]
_cell_length_b [9.2438]
_cell_length_c [5.0586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Hf6In2Pb]
_chemical_formula_sum '[Hf12 In4 Pb2]'
_cell_volume [405.7614]
_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  0.0284  0.8382  0.0000  1.0
  Hf  Hf1  4  0.1729  0.9194  0.5000  1.0
  Hf  Hf2  4  0.1863  0.5809  0.5000  1.0
  In  In3  4  0.1428  0.2519  0.5000  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
]