data_SrPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.95
_cell_length_b   11.95
_cell_length_c   11.95
_cell_angle_alpha   19.54
_cell_angle_beta   19.54
_cell_angle_gamma   19.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPbCl2
_chemical_formula_sum   'Sr1 Pb1 Cl2'
_cell_volume   166.8
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.57  1.0
  Cl  Cl0  1  0.0  0.0  0.05  1.0
  Cl  Cl1  1  0.0  0.0  0.09  1.0

data_SrPbCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.02
_cell_length_b   4.05
_cell_length_c   11.95
_cell_angle_alpha   90.0
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrPbCl2
_chemical_formula_sum   'Sr2 Pb2 Cl4'
_cell_volume   333.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Pb  Pb1  2  0.0  0.0  0.43  1.0
  Cl  Cl2  2  0.0  0.0  0.91  1.0
  Cl  Cl3  2  0.0  0.0  0.95  1.0

Sr Pb Cl Cl
Sr Pb Cl Cl 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o o 