data_CrPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPb2Cl
_chemical_formula_sum   'Cr1 Pb2 Cl1'
_cell_volume   107.35
_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  Cr1  1  0.84  0.0  0.65  1.0
  Pb  Pb2  1  0.0  0.0  0.37  1.0
  Pb  Pb3  1  0.84  0.0  0.35  1.0
  Cl  Cl0  1  0.0  0.0  0.25  1.0

data_CrPb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   9.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPb2Cl
_chemical_formula_sum   'Cr1 Pb2 Cl1'
_cell_volume   107.35
_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  0.84  0.0  0.65  1.0
  Pb  Pb1  1  0.0  0.0  0.37  1.0
  Pb  Pb2  1  0.84  0.0  0.35  1.0
  Cl  Cl3  1  0.0  0.0  0.25  1.0

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