data_ZnCu4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu4Pb
_chemical_formula_sum   'Zn1 Cu4 Pb1'
_cell_volume   90.32
_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
  Zn  Zn5  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.66  0.46  0.66  1.0
  Cu  Cu1  1  0.46  0.66  0.66  1.0
  Cu  Cu2  1  0.46  0.46  0.46  1.0
  Cu  Cu3  1  0.66  0.66  0.46  1.0
  Pb  Pb4  1  0.78  0.78  0.78  1.0

data_ZnCu4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   12.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnCu4Pb
_chemical_formula_sum   'Zn3 Cu12 Pb3'
_cell_volume   270.96
_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
  Zn  Zn0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.14  0.07  0.4  1.0
  Cu  Cu2  3  0.0  0.0  0.54  1.0
  Pb  Pb3  3  0.0  0.0  0.22  1.0

Zn Cu Cu Cu Cu Pb
Zn Cu Cu Cu Cu Pb 0 5 - - - 0 4 - - o 0 1 - o - 0 2 o - - 1 2 o o o 1 4 o o o 1 3 o o o 1 5 o o o 1 5 o - o 2 4 o o o 2 3 o o o 2 5 o o o 2 5 - o o 3 4 o o o 3 5 o o - 3 5 o - o 3 5 - o o 4 5 o o o 4 5 o o - 
Cu4ZnPb crystallizes in the trigonal R3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Cu(2), two equivalent Cu(1), one Zn(1), and two equivalent Pb(1) atoms. The Cu(1)-Cu(2) bond length is 1.80 Å. Both Cu(1)-Cu(1) bond lengths are 1.04 Å. The Cu(1)-Zn(1) bond length is 2.47 Å. There is one shorter (2.36 Å) and one longer (2.94 Å) Cu(1)-Pb(1) bond length. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to three equivalent Cu(1) and three equivalent Pb(1) atoms. All Cu(2)-Pb(1) bond lengths are 2.91 Å. Zn(1) is bonded in a 4-coordinate geometry to three equivalent Cu(1) and four equivalent Pb(1) atoms. There is one shorter (2.71 Å) and three longer (3.23 Å) Zn(1)-Pb(1) bond lengths. Pb(1) is bonded in a 13-coordinate geometry to three equivalent Cu(2), six equivalent Cu(1), and four equivalent Zn(1) atoms.