data_LiPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   7.67
_cell_angle_alpha   97.61
_cell_angle_beta   97.61
_cell_angle_gamma   57.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPbCl2
_chemical_formula_sum   'Li1 Pb1 Cl2'
_cell_volume   88.09
_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  Li2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.68  0.0  0.79  1.0
  Cl  Cl0  1  0.34  0.0  0.38  1.0
  Cl  Cl1  1  0.01  0.0  0.21  1.0

data_LiPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.71
_cell_length_c   7.67
_cell_angle_alpha   97.61
_cell_angle_beta   90.0
_cell_angle_gamma   118.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPbCl2
_chemical_formula_sum   'Li1 Pb1 Cl2'
_cell_volume   88.09
_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  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.32  0.21  1.0
  Cl  Cl2  1  0.0  0.66  0.62  1.0
  Cl  Cl3  1  0.0  0.99  0.79  1.0

Li Pb Cl Cl
Li Pb Cl Cl 0 1 - o - 0 3 o o o 2 3 o o o 