data_CaPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   8.5
_cell_angle_alpha   91.23
_cell_angle_beta   91.23
_cell_angle_gamma   57.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPbCl2
_chemical_formula_sum   'Ca1 Pb1 Cl2'
_cell_volume   119.99
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.5  0.0  0.25  1.0
  Cl  Cl1  1  0.16  0.0  0.12  1.0
  Cl  Cl2  1  0.83  0.0  0.38  1.0

data_CaPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.1
_cell_length_c   8.5
_cell_angle_alpha   91.23
_cell_angle_beta   90.0
_cell_angle_gamma   118.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPbCl2
_chemical_formula_sum   'Ca1 Pb1 Cl2'
_cell_volume   119.99
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.5  0.75  1.0
  Cl  Cl2  1  0.0  0.17  0.62  1.0
  Cl  Cl3  1  0.0  0.84  0.88  1.0

Ca Pb Cl Cl