data_[Ti45In6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2208]
_cell_length_b [9.2208]
_cell_length_c [14.7707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ti15(InPb)2]
_chemical_formula_sum '[Ti45 In6 Pb6]'
_cell_volume [1087.5979]
_cell_formula_units_Z [3]
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  18  0.0000  0.3014  0.0000  1
  Ti  Ti1  18  0.0191  0.5096  0.1391  1
  Ti  Ti2  9  0.0000  0.5000  0.5000  1
  In  In3  6  0.0000  0.0000  0.0978  1
  Pb  Pb4  6  0.0000  0.0000  0.3261  1
]