data_[Hf6Ti8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1685]
_cell_length_b [4.0702]
_cell_length_c [9.5617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(Ti2Pb)2]
_chemical_formula_sum '[Hf6 Ti8 Pb4]'
_cell_volume [367.7404]
_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  0.1561  0.5000  0.5455  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  4  0.0101  0.0000  0.6825  1.0
  Ti  Ti3  4  0.1697  0.5000  0.8930  1.0
  Pb  Pb4  4  0.1691  0.5000  0.2225  1.0
]