data_[Ti16Ge2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8220]
_cell_length_b [4.7881]
_cell_length_c [5.2331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8GePb2]
_chemical_formula_sum '[Ti16 Ge2 Pb4]'
_cell_volume [394.9154]
_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  4  0.0432  0.0000  0.2636  1.0
  Ti  Ti1  4  0.0843  0.5000  0.5472  1.0
  Ti  Ti2  4  0.1654  0.5000  0.1113  1.0
  Ti  Ti3  4  0.2352  0.0000  0.3439  1.0
  Ge  Ge4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1501  0.0000  0.7992  1.0
]