data_VZnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   3.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnCu
_chemical_formula_sum   'V1 Zn1 Cu1'
_cell_volume   44.96
_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
  V  V1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.82  0.82  0.82  1.0
  Cu  Cu0  1  0.41  0.41  0.41  1.0

data_VZnCu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VZnCu
_chemical_formula_sum   'V3 Zn3 Cu3'
_cell_volume   134.89
_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
  V  V0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.18  1.0
  Cu  Cu2  3  0.0  0.0  0.59  1.0

V Zn Cu
VCuZn crystallizes in the trigonal R3m space group. V(1) is bonded to three equivalent Cu(1) and one Zn(1) atom to form distorted VZnCu3 tetrahedra that share corners with three equivalent Zn(1)VCu3 tetrahedra, corners with six equivalent V(1)ZnCu3 tetrahedra, and edges with three equivalent Zn(1)VCu3 tetrahedra. All V(1)-Cu(1) bond lengths are 2.43 Å. The V(1)-Zn(1) bond length is 1.74 Å. Cu(1) is bonded in a 6-coordinate geometry to three equivalent V(1) and three equivalent Zn(1) atoms. All Cu(1)-Zn(1) bond lengths are 2.43 Å. Zn(1) is bonded to one V(1) and three equivalent Cu(1) atoms to form distorted ZnVCu3 tetrahedra that share corners with three equivalent V(1)ZnCu3 tetrahedra, corners with six equivalent Zn(1)VCu3 tetrahedra, and edges with three equivalent V(1)ZnCu3 tetrahedra.