data_[Ti14Sb4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1100]
_cell_length_b [8.8695]
_cell_length_c [4.8651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7(SbPb)2]
_chemical_formula_sum '[Ti14 Sb4 Pb4]'
_cell_volume [448.0894]
_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  0.2112  0.1730  0.2440  1
  Ti  Ti1  4  0.0014  0.5000  0.2624  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  4  0.2395  0.5000  0.2002  1
  Pb  Pb4  4  0.0000  0.2065  0.5000  1
]