data_CrPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   144.52
_cell_angle_beta   144.52
_cell_angle_gamma   51.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPbCl2
_chemical_formula_sum   'Cr1 Pb1 Cl2'
_cell_volume   100.16
_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
  Cr  Cr2  1  0.0  0.0  0.03  1.0
  Pb  Pb3  1  0.0  0.04  0.02  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.04  0.0  0.02  1.0

data_CrPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.69
_cell_angle_alpha   107.74
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPbCl2
_chemical_formula_sum   'Cr1 Pb1 Cl2'
_cell_volume   100.16
_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
  Cr  Cr0  1  0.97  0.0  0.97  1.0
  Pb  Pb1  1  0.02  0.04  0.02  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.98  0.0  0.02  1.0

Cr Pb Cl Cl
Cr Pb Cl Cl 0 2 o o o 1 2 o o o 2 3 o o o 