data_CoPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPb2Cl
_chemical_formula_sum   'Co1 Pb2 Cl1'
_cell_volume   96.92
_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
  Co  Co1  1  0.82  0.82  0.82  1.0
  Pb  Pb2  1  0.65  0.65  0.65  1.0
  Pb  Pb3  1  0.47  0.47  0.47  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoPb2Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoPb2Cl
_chemical_formula_sum   'Co3 Pb6 Cl3'
_cell_volume   290.76
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Co  Co0  3  0.0  0.0  0.18  1.0
  Pb  Pb1  3  0.0  0.0  0.35  1.0
  Pb  Pb2  3  0.0  0.0  0.53  1.0
  Cl  Cl3  3  0.0  0.0  1.0  1.0

Co Pb Pb Cl
CoPb2Cl crystallizes in the trigonal R3m space group. Co(1) is bonded in a distorted linear geometry to one Pb(1), three equivalent Pb(2), and one Cl(1) atom. The Co(1)-Pb(1) bond length is 2.24 Å. All Co(1)-Pb(2) bond lengths are 2.99 Å. The Co(1)-Cl(1) bond length is 2.24 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one Co(1), one Pb(2), and three equivalent Cl(1) atoms to form distorted PbCoPbCl3 trigonal bipyramids that share corners with six equivalent Pb(1)CoPbCl3 trigonal bipyramids,  a cornercorner with one Cl(1)CoPb3 trigonal pyramid, and corners with three equivalent Pb(2)Co3Pb trigonal pyramids. The Pb(1)-Pb(2) bond length is 2.24 Å. All Pb(1)-Cl(1) bond lengths are 2.99 Å. In the second Pb site, Pb(2) is bonded to three equivalent Co(1) and one Pb(1) atom to form PbCo3Pb trigonal pyramids that share corners with three equivalent Pb(1)CoPbCl3 trigonal bipyramids, corners with six equivalent Pb(2)Co3Pb trigonal pyramids, and edges with three equivalent Cl(1)CoPb3 trigonal pyramids. Cl(1) is bonded to one Co(1) and three equivalent Pb(1) atoms to form distorted ClCoPb3 trigonal pyramids that share  a cornercorner with one Pb(1)CoPbCl3 trigonal bipyramid, corners with six equivalent Cl(1)CoPb3 trigonal pyramids, and edges with three equivalent Pb(2)Co3Pb trigonal pyramids.