data_Ru2PbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2PbCl
_chemical_formula_sum   'Ru2 Pb1 Cl1'
_cell_volume   72.41
_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
  Ru  Ru2  1  0.31  0.31  0.31  1.0
  Ru  Ru3  1  0.96  0.96  0.96  1.0
  Pb  Pb1  1  0.65  0.65  0.65  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ru2PbCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ru2PbCl
_chemical_formula_sum   'Ru6 Pb3 Cl3'
_cell_volume   217.23
_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
  Ru  Ru0  3  0.0  0.0  0.04  1.0
  Ru  Ru1  3  0.0  0.0  0.69  1.0
  Pb  Pb2  3  0.0  0.0  0.35  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Ru Ru Pb Cl
Ru Ru Pb Cl 0 3 o o + 0 3 o + o 0 3 + o o 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 + + + 1 2 + o o 1 2 o + o 1 2 o o + 2 3 o + + 2 3 + o + 2 3 + + o 
Ru2PbCl crystallizes in the trigonal R3m space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted hexagonal planar geometry to three equivalent Pb(1) and three equivalent Cl(1) atoms. All Ru(1)-Pb(1) bond lengths are 2.70 Å. All Ru(1)-Cl(1) bond lengths are 2.72 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to four equivalent Pb(1) and one Cl(1) atom. There are three shorter (2.72 Å) and one longer (3.53 Å) Ru(2)-Pb(1) bond length. The Ru(2)-Cl(1) bond length is 0.43 Å. Pb(1) is bonded in a distorted q6 geometry to three equivalent Ru(1), four equivalent Ru(2), and three equivalent Cl(1) atoms. All Pb(1)-Cl(1) bond lengths are 2.70 Å. Cl(1) is bonded in a single-bond geometry to one Ru(2), three equivalent Ru(1), and three equivalent Pb(1) atoms.