data_[Li2Ti1Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4464]
_cell_length_b [6.8359]
_cell_length_c [8.1834]
_cell_angle_alpha [69.6962]
_cell_angle_beta [88.7048]
_cell_angle_gamma [79.5664]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2TiPbCl8]
_chemical_formula_sum '[Li2 Ti1 Pb1 Cl8]'
_cell_volume [332.3036]
_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
[
  Li  Li0  2  0.4648  0.3428  0.6865  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.1160  0.2255  0.7262  1.0
  Cl  Cl4  2  0.1290  0.1986  0.1456  1.0
  Cl  Cl5  2  0.3247  0.7713  0.0465  1.0
  Cl  Cl6  2  0.3987  0.7198  0.5639  1.0
]