data_BaRu4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRu4Pb
_chemical_formula_sum   'Ba1 Ru4 Pb1'
_cell_volume   116.42
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.92  0.92  0.83  1.0
  Ru  Ru3  1  0.92  0.83  0.92  1.0
  Ru  Ru4  1  0.83  0.92  0.92  1.0
  Ru  Ru5  1  0.83  0.83  0.83  1.0
  Pb  Pb1  1  0.94  0.94  0.94  1.0

data_BaRu4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   13.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaRu4Pb
_chemical_formula_sum   'Ba3 Ru12 Pb3'
_cell_volume   349.25
_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
  Ba  Ba0  3  0.0  0.0  0.0  1.0
  Ru  Ru1  9  0.06  0.03  0.11  1.0
  Ru  Ru2  3  0.0  0.0  0.17  1.0
  Pb  Pb3  3  0.0  0.0  0.06  1.0

Ba Ru Ru Ru Ru Pb
BaRu4Pb crystallizes in the trigonal R3m space group. Ba(1) is bonded in a single-bond geometry to three equivalent Ru(2) and one Pb(1) atom. All Ba(1)-Ru(2) bond lengths are 3.86 Å. The Ba(1)-Pb(1) bond length is 0.84 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to one Ru(2), two equivalent Ru(1), and one Pb(1) atom. The Ru(1)-Ru(2) bond length is 0.85 Å. Both Ru(1)-Ru(1) bond lengths are 0.49 Å. The Ru(1)-Pb(1) bond length is 0.70 Å. In the second Ru site, Ru(2) is bonded to three equivalent Ba(1) and three equivalent Ru(1) atoms to form distorted corner-sharing RuBa3Ru3 pentagonal pyramids. Pb(1) is bonded in a distorted single-bond geometry to one Ba(1) and three equivalent Ru(1) atoms.