data_ZrTiRuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiRuPb
_chemical_formula_sum   'Zr1 Ti1 Ru1 Pb1'
_cell_volume   75.24
_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
  Zr  Zr3  1  0.68  0.68  0.68  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.35  0.35  0.35  1.0
  Pb  Pb0  1  0.03  0.03  0.03  1.0

data_ZrTiRuPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   11.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrTiRuPb
_chemical_formula_sum   'Zr3 Ti3 Ru3 Pb3'
_cell_volume   225.73
_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
  Zr  Zr0  3  0.0  0.0  0.32  1.0
  Ti  Ti1  3  0.0  0.0  -0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.65  1.0
  Pb  Pb3  3  0.0  0.0  0.97  1.0

Zr Ti Ru Pb
Zr Ti Ru Pb 0 2 o o + 0 2 o + o 0 2 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 1 o + + 0 1 + o + 0 1 + + o 1 3 o o o 1 2 o o - 1 2 o - o 1 2 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
ZrTiRuPb crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 11-coordinate geometry to four equivalent Ti(1), four equivalent Ru(1), and three equivalent Pb(1) atoms. There are three shorter (2.74 Å) and one longer (3.77 Å) Zr(1)-Ti(1) bond length. There are three shorter (2.74 Å) and one longer (3.77 Å) Zr(1)-Ru(1) bond length. All Zr(1)-Pb(1) bond lengths are 2.74 Å. Ti(1) is bonded in a single-bond geometry to four equivalent Zr(1) and one Pb(1) atom. The Ti(1)-Pb(1) bond length is 0.30 Å. Ru(1) is bonded in a 3-coordinate geometry to four equivalent Zr(1) atoms. Pb(1) is bonded in a single-bond geometry to three equivalent Zr(1) and one Ti(1) atom.