data_[Ti2Si2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.5363]
_cell_length_b [3.6430]
_cell_length_c [9.9618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [TiSiPb]
_chemical_formula_sum '[Ti2 Si2 Pb2]'
_cell_volume [128.3048]
_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  2  0.4925  0.8428  0.8795  1
  Si  Si1  2  0.0058  0.8423  0.0877  1
  Pb  Pb2  2  0.1425  0.3201  0.3795  1
]