data_AlPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   140.89
_cell_angle_beta   140.89
_cell_angle_gamma   56.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPbCl2
_chemical_formula_sum   'Al1 Pb1 Cl2'
_cell_volume   102.73
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.14  0.81  1.0
  Cl  Cl1  1  0.14  0.0  0.81  1.0
  Cl  Cl2  1  0.0  0.0  0.62  1.0

data_AlPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.38
_cell_angle_alpha   109.55
_cell_angle_beta   109.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPbCl2
_chemical_formula_sum   'Al1 Pb1 Cl2'
_cell_volume   102.73
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.68  0.81  0.68  1.0
  Cl  Cl2  1  0.62  0.62  0.62  1.0
  Cl  Cl3  1  0.81  0.68  0.68  1.0

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