data_ZrZnCuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnCuPb
_chemical_formula_sum   'Zr1 Zn1 Cu1 Pb1'
_cell_volume   78.8
_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  0.7  0.7  0.7  1.0
  Zn  Zn2  1  0.1  0.1  0.1  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.4  0.4  0.4  1.0

data_ZrZnCuPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrZnCuPb
_chemical_formula_sum   'Zr3 Zn3 Cu3 Pb3'
_cell_volume   236.4
_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  0.3  1.0
  Zn  Zn1  3  0.0  0.0  0.9  1.0
  Cu  Cu2  3  0.0  0.0  0.0  1.0
  Pb  Pb3  3  0.0  0.0  0.6  1.0

Zr Zn Cu Pb
Zr Zn Cu Pb 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o - 2 3 o - o 2 3 - o o 
ZrCuZnPb crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 11-coordinate geometry to four equivalent Cu(1), three equivalent Zn(1), and four equivalent Pb(1) atoms. There are three shorter (2.81 Å) and one longer (3.52 Å) Zr(1)-Cu(1) bond length. All Zr(1)-Zn(1) bond lengths are 2.90 Å. There are three shorter (2.81 Å) and one longer (3.52 Å) Zr(1)-Pb(1) bond length. Cu(1) is bonded in a single-bond geometry to four equivalent Zr(1), one Zn(1), and three equivalent Pb(1) atoms. The Cu(1)-Zn(1) bond length is 1.23 Å. All Cu(1)-Pb(1) bond lengths are 2.90 Å. Zn(1) is bonded in a single-bond geometry to three equivalent Zr(1), one Cu(1), and three equivalent Pb(1) atoms. All Zn(1)-Pb(1) bond lengths are 2.81 Å. Pb(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), three equivalent Cu(1), and three equivalent Zn(1) atoms.