data_Ru4PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru4PtPb
_chemical_formula_sum   'Ru4 Pt1 Pb1'
_cell_volume   99.17
_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  0.6  0.6  0.75  1.0
  Ru  Ru3  1  0.6  0.75  0.6  1.0
  Ru  Ru4  1  0.75  0.6  0.6  1.0
  Ru  Ru5  1  0.75  0.75  0.75  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.51  0.51  0.51  1.0

data_Ru4PtPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ru4PtPb
_chemical_formula_sum   'Ru12 Pt3 Pb3'
_cell_volume   297.51
_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  9  0.05  0.1  0.35  1.0
  Ru  Ru1  3  0.0  0.0  0.25  1.0
  Pt  Pt2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.49  1.0

Ru Ru Ru Ru Pt Pb
Ru Ru Ru Ru Pt Pb 0 2 o o o 0 1 o o o 0 3 o o o 0 4 + + o 0 4 + o + 0 4 o + + 0 5 o o o 1 2 o o o 1 3 o o o 1 4 + + o 1 4 + o + 1 4 o + + 1 5 o o o 2 3 o o o 2 4 + + o 2 4 + o + 2 4 o + + 2 5 o o o 3 4 + + + 3 4 + + o 3 4 + o + 3 4 o + + 
Ru4PtPb crystallizes in the trigonal R3m space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 2-coordinate geometry to one Ru(2), two equivalent Ru(1), two equivalent Pt(1), and one Pb(1) atom. The Ru(1)-Ru(2) bond length is 1.35 Å. Both Ru(1)-Ru(1) bond lengths are 0.78 Å. Both Ru(1)-Pt(1) bond lengths are 2.81 Å. The Ru(1)-Pb(1) bond length is 1.81 Å. In the second Ru site, Ru(2) is bonded in a 7-coordinate geometry to three equivalent Ru(1), one Pt(1), and three equivalent Pb(1) atoms. The Ru(2)-Pt(1) bond length is 3.20 Å. All Ru(2)-Pb(1) bond lengths are 3.24 Å. Pt(1) is bonded in a 7-coordinate geometry to one Ru(2) and six equivalent Ru(1) atoms. Pb(1) is bonded in a 6-coordinate geometry to three equivalent Ru(1) and three equivalent Ru(2) atoms.