data_[Ti13Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7917]
_cell_length_b [6.0197]
_cell_length_c [10.2174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ti13Pb3]
_chemical_formula_sum '[Ti13 Pb3]'
_cell_volume [294.7163]
_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
[
  Ti  Ti0  2  0.0000  0.2499  0.9245  1.0
  Ti  Ti1  2  0.0000  0.2641  0.4058  1.0
  Ti  Ti2  2  0.5000  0.2567  0.0872  1.0
  Ti  Ti3  2  0.5000  0.2581  0.5842  1.0
  Ti  Ti4  1  0.0000  0.0000  0.1579  1.0
  Ti  Ti5  1  0.0000  0.5000  0.1678  1.0
  Ti  Ti6  1  0.0000  0.5000  0.6530  1.0
  Ti  Ti7  1  0.5000  0.0000  0.8486  1.0
  Ti  Ti8  1  0.5000  0.5000  0.3351  1.0
  Pb  Pb9  1  0.0000  0.0000  0.6654  1.0
  Pb  Pb10  1  0.5000  0.0000  0.3366  1.0
  Pb  Pb11  1  0.5000  0.5000  0.8323  1.0
]