data_VZn4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZn4Co
_chemical_formula_sum   'V1 Zn4 Co1'
_cell_volume   81.78
_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  0.58  0.31  0.58  1.0
  Zn  Zn3  1  0.31  0.58  0.58  1.0
  Zn  Zn4  1  0.31  0.31  0.31  1.0
  Zn  Zn5  1  0.58  0.58  0.31  1.0
  Co  Co0  1  0.72  0.72  0.72  1.0

data_VZn4Co
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   11.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VZn4Co
_chemical_formula_sum   'V3 Zn12 Co3'
_cell_volume   245.33
_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  9  0.19  0.09  0.51  1.0
  Zn  Zn2  3  0.0  0.0  0.69  1.0
  Co  Co3  3  0.0  0.0  0.28  1.0

V Zn Zn Zn Zn Co
V Zn Zn Zn Zn Co 0 4 - - o 0 4 - o o 0 4 o - o 0 5 - - - 0 5 - - o 0 5 - o - 0 5 o - - 0 1 - o - 0 1 - o o 0 1 o o - 0 3 - o o 0 3 o - o 0 3 o o - 0 2 o - - 0 2 o - o 0 2 o 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 5 - o o 3 5 o - o 3 5 o o - 3 4 o o o 4 5 o o o 4 5 o o - 
VCoZn4 crystallizes in the trigonal R3m space group. V(1) is bonded in a 9-coordinate geometry to three equivalent Co(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. All V(1)-Co(1) bond lengths are 2.89 Å. All V(1)-Zn(1) bond lengths are 2.92 Å. All V(1)-Zn(2) bond lengths are 2.83 Å. Co(1) is bonded in a 3-coordinate geometry to three equivalent V(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. All Co(1)-Zn(1) bond lengths are 2.37 Å. All Co(1)-Zn(2) bond lengths are 2.98 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one V(1), one Co(1), two equivalent Zn(1), and three equivalent Zn(2) atoms. Both Zn(1)-Zn(1) bond lengths are 1.35 Å. There is one shorter (2.34 Å) and two longer (3.07 Å) Zn(1)-Zn(2) bond lengths. In the second Zn site, Zn(2) is bonded in a 15-coordinate geometry to three equivalent V(1), three equivalent Co(1), and nine equivalent Zn(1) atoms.