data_[Hf16Al4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8370]
_cell_length_b [12.8508]
_cell_length_c [5.2474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Al2Pb]
_chemical_formula_sum '[Hf16 Al4 Pb2]'
_cell_volume [488.3165]
_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  0.2042  0.1187  0.1293  1
  Hf  Hf1  4  0.0000  0.2339  0.5000  1
  Hf  Hf2  4  0.0824  0.5000  0.2968  1
  Al  Al3  4  0.0000  0.3060  0.0000  1
  Pb  Pb4  2  0.0000  0.0000  0.5000  1
]