data_VZnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   16.17
_cell_angle_beta   16.17
_cell_angle_gamma   16.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnCr2
_chemical_formula_sum   'V1 Zn1 Cr2'
_cell_volume   51.18
_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  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.49  1.0
  Cr  Cr0  1  0.0  0.0  0.23  1.0
  Cr  Cr1  1  0.0  0.0  0.75  1.0

data_VZnCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   2.56
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   99.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VZnCr2
_chemical_formula_sum   'V2 Zn2 Cr4'
_cell_volume   102.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  V0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.51  1.0
  Cr  Cr2  2  0.0  0.0  0.25  1.0
  Cr  Cr3  2  0.0  0.0  0.77  1.0

V Zn Cr Cr
V Zn Cr Cr 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o - 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 3 3 o + - 3 3 + - o 3 3 + o - 
VCr2Zn crystallizes in the monoclinic Cm space group. V(1) is bonded in a 2-coordinate geometry to one Cr(1) and one Cr(2) atom. The V(1)-Cr(1) bond length is 2.11 Å. The V(1)-Cr(2) bond length is 2.32 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to one V(1), six equivalent Cr(1), and one Zn(1) atom. All Cr(1)-Cr(1) bond lengths are 2.56 Å. The Cr(1)-Zn(1) bond length is 2.34 Å. In the second Cr site, Cr(2) is bonded to one V(1), six equivalent Cr(2), and one Zn(1) atom to form distorted CrVZnCr6 hexagonal bipyramids that share corners with six equivalent Cr(2)VZnCr6 hexagonal bipyramids, edges with six equivalent Zn(1)Zn6Cr2 hexagonal bipyramids, and edges with twelve equivalent Cr(2)VZnCr6 hexagonal bipyramids. All Cr(2)-Cr(2) bond lengths are 2.56 Å. The Cr(2)-Zn(1) bond length is 2.34 Å. Zn(1) is bonded to one Cr(1), one Cr(2), and six equivalent Zn(1) atoms to form distorted ZnZn6Cr2 hexagonal bipyramids that share corners with six equivalent Zn(1)Zn6Cr2 hexagonal bipyramids, edges with six equivalent Cr(2)VZnCr6 hexagonal bipyramids, and edges with twelve equivalent Zn(1)Zn6Cr2 hexagonal bipyramids. All Zn(1)-Zn(1) bond lengths are 2.56 Å.