data_CaPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   144.88
_cell_angle_beta   144.88
_cell_angle_gamma   50.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPbCl2
_chemical_formula_sum   'Ca1 Pb1 Cl2'
_cell_volume   110.02
_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  0.28  1.0
  Pb  Pb3  1  0.09  0.0  0.14  1.0
  Cl  Cl1  1  0.0  0.09  0.14  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_CaPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.94
_cell_angle_alpha   107.56
_cell_angle_beta   107.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPbCl2
_chemical_formula_sum   'Ca1 Pb1 Cl2'
_cell_volume   110.02
_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  0.72  0.0  0.72  1.0
  Pb  Pb1  1  0.86  0.0  0.96  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.96  0.09  0.96  1.0

Ca Pb Cl Cl