data_[Ti14Al2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0918]
_cell_length_b [8.6557]
_cell_length_c [10.1689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti7AlPb3]
_chemical_formula_sum '[Ti14 Al2 Pb6]'
_cell_volume [448.1742]
_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
[
  Ti  Ti0  8  0.0000  0.3339  0.2499  1
  Ti  Ti1  4  0.0000  0.1968  0.0000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Al  Al3  2  0.0000  0.5000  0.0000  1
  Pb  Pb4  4  0.0000  0.0000  0.2300  1
  Pb  Pb5  2  0.0000  0.5000  0.5000  1
]