data_Re2PbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   151.71
_cell_angle_beta   130.95
_cell_angle_gamma   57.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PbCl
_chemical_formula_sum   'Re2 Pb1 Cl1'
_cell_volume   72.66
_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
  Re  Re2  1  0.44  0.0  0.32  1.0
  Re  Re3  1  0.0  0.44  0.84  1.0
  Pb  Pb1  1  0.0  0.0  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Re2PbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.89
_cell_length_c   5.89
_cell_angle_alpha   114.53
_cell_angle_beta   104.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2PbCl
_chemical_formula_sum   'Re2 Pb1 Cl1'
_cell_volume   72.66
_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
  Re  Re0  1  0.0  0.32  0.88  1.0
  Re  Re1  1  0.56  0.4  0.4  1.0
  Pb  Pb2  1  0.0  0.16  0.16  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Re Re Pb Cl
Re Re Pb Cl 0 3 o o o 0 2 o o o 1 2 o + + 1 2 o o o 2 3 o o o 