The compound described by Zr3(V2Fe)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(3), three equivalent Zr(2), one V(4), two equivalent V(1), two equivalent V(5), three equivalent V(2), one Fe(1), one Fe(3), and two equivalent Fe(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), one V(1), one V(5), two equivalent V(4), three equivalent V(2), one Fe(2), two equivalent Fe(1), and two equivalent Fe(3) atoms. In the third Zr site, Zr(3) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(3), three equivalent V(1), three equivalent V(3), three equivalent V(5), and three equivalent Fe(2) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded to one Zr(2), two equivalent Zr(1), three equivalent Zr(3), one V(2), one V(3), two equivalent V(5), and two equivalent Fe(2) atoms to form VZr6V4Fe2 cuboctahedra that share  a cornercorner with one Fe(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(4)Zr6V2Fe4 cuboctahedra, corners with two equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with two equivalent V(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(2)Zr6V6 cuboctahedra, corners with five equivalent V(1)Zr6V4Fe2 cuboctahedra, edges with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, edges with four equivalent V(1)Zr6V4Fe2 cuboctahedra,  a faceface with one V(4)Zr6V2Fe4 cuboctahedra,  a faceface with one Fe(1)Zr6V4Fe2 cuboctahedra, faces with three equivalent V(2)Zr6V3Fe3 cuboctahedra, faces with three equivalent V(3)Zr6V4Fe2 cuboctahedra, faces with five equivalent V(5)Zr6V4Fe2 cuboctahedra, and faces with five equivalent Fe(2)Zr6V6 cuboctahedra. In the second V site, V(2) is bonded to three equivalent Zr(1), three equivalent Zr(2), one V(1), one V(4), one V(5), one Fe(1), one Fe(2), and one Fe(3) atom to form VZr6V3Fe3 cuboctahedra that share corners with two equivalent V(4)Zr6V2Fe4 cuboctahedra, corners with two equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(2)Zr6V6 cuboctahedra, corners with three equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with three equivalent V(3)Zr6V4Fe2 cuboctahedra, edges with six equivalent V(2)Zr6V3Fe3 cuboctahedra, faces with three equivalent V(4)Zr6V2Fe4 cuboctahedra, faces with three equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with three equivalent V(5)Zr6V4Fe2 cuboctahedra, faces with three equivalent Fe(1)Zr6V4Fe2 cuboctahedra, faces with three equivalent Fe(3)Zr6V4Fe2 cuboctahedra, and faces with three equivalent Fe(2)Zr6V6 cuboctahedra. In the third V site, V(3) is bonded to six equivalent Zr(3), two equivalent V(1), two equivalent V(5), and two equivalent Fe(2) atoms to form VZr6V4Fe2 cuboctahedra that share corners with four equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with four equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr6V6 cuboctahedra, corners with six equivalent V(2)Zr6V3Fe3 cuboctahedra, edges with six equivalent V(3)Zr6V4Fe2 cuboctahedra, faces with six equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with six equivalent V(5)Zr6V4Fe2 cuboctahedra, and faces with six equivalent Fe(2)Zr6V6 cuboctahedra. In the fourth V site, V(4) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent V(2), two equivalent Fe(1), and two equivalent Fe(3) atoms to form VZr6V2Fe4 cuboctahedra that share corners with two equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with four equivalent V(4)Zr6V2Fe4 cuboctahedra, corners with four equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with four equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr6V6 cuboctahedra, edges with two equivalent V(4)Zr6V2Fe4 cuboctahedra, edges with four equivalent V(5)Zr6V4Fe2 cuboctahedra, faces with two equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with two equivalent Fe(2)Zr6V6 cuboctahedra, faces with four equivalent Fe(1)Zr6V4Fe2 cuboctahedra, faces with four equivalent Fe(3)Zr6V4Fe2 cuboctahedra, and faces with six equivalent V(2)Zr6V3Fe3 cuboctahedra. In the fifth V site, V(5) is bonded to one Zr(2), two equivalent Zr(1), three equivalent Zr(3), one V(2), one V(3), two equivalent V(1), and two equivalent Fe(2) atoms to form VZr6V4Fe2 cuboctahedra that share  a cornercorner with one V(4)Zr6V2Fe4 cuboctahedra, corners with two equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with two equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(2)Zr6V6 cuboctahedra, corners with five equivalent V(5)Zr6V4Fe2 cuboctahedra, edges with two equivalent V(4)Zr6V2Fe4 cuboctahedra, edges with four equivalent V(5)Zr6V4Fe2 cuboctahedra,  a faceface with one Fe(1)Zr6V4Fe2 cuboctahedra,  a faceface with one Fe(3)Zr6V4Fe2 cuboctahedra, faces with three equivalent V(2)Zr6V3Fe3 cuboctahedra, faces with three equivalent V(3)Zr6V4Fe2 cuboctahedra, faces with five equivalent V(1)Zr6V4Fe2 cuboctahedra, and faces with five equivalent Fe(2)Zr6V6 cuboctahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent V(2), two equivalent V(4), and two equivalent Fe(3) atoms to form FeZr6V4Fe2 cuboctahedra that share corners with two equivalent Fe(2)Zr6V6 cuboctahedra, corners with four equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with four equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with four equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(1)Zr6V4Fe2 cuboctahedra, edges with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, edges with four equivalent Fe(2)Zr6V6 cuboctahedra, faces with two equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with two equivalent V(5)Zr6V4Fe2 cuboctahedra, faces with four equivalent V(4)Zr6V2Fe4 cuboctahedra, faces with four equivalent Fe(3)Zr6V4Fe2 cuboctahedra, and faces with six equivalent V(2)Zr6V3Fe3 cuboctahedra. In the second Fe site, Fe(2) is bonded to one Zr(2), two equivalent Zr(1), three equivalent Zr(3), one V(2), one V(3), two equivalent V(1), and two equivalent V(5) atoms to form FeZr6V6 cuboctahedra that share  a cornercorner with one Fe(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(4)Zr6V2Fe4 cuboctahedra, corners with two equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with two equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, corners with five equivalent Fe(2)Zr6V6 cuboctahedra, edges with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, edges with four equivalent Fe(2)Zr6V6 cuboctahedra,  a faceface with one V(4)Zr6V2Fe4 cuboctahedra,  a faceface with one Fe(3)Zr6V4Fe2 cuboctahedra, faces with three equivalent V(2)Zr6V3Fe3 cuboctahedra, faces with three equivalent V(3)Zr6V4Fe2 cuboctahedra, faces with five equivalent V(1)Zr6V4Fe2 cuboctahedra, and faces with five equivalent V(5)Zr6V4Fe2 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent V(2), two equivalent V(4), and two equivalent Fe(1) atoms to form FeZr6V4Fe2 cuboctahedra that share corners with two equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with four equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with four equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(3)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr6V6 cuboctahedra, edges with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, edges with four equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with two equivalent V(5)Zr6V4Fe2 cuboctahedra, faces with two equivalent Fe(2)Zr6V6 cuboctahedra, faces with four equivalent V(4)Zr6V2Fe4 cuboctahedra, faces with four equivalent Fe(1)Zr6V4Fe2 cuboctahedra, and faces with six equivalent V(2)Zr6V3Fe3 cuboctahedra. is represented by the CIF card [CIF]
data_Zr3(V2Fe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.085
_cell_length_b   5.103
_cell_length_c   12.704
_cell_angle_alpha   90.969
_cell_angle_beta   88.503
_cell_angle_gamma   118.973
_symmetry_Int_Tables_number   1
_cell_volume   288.304
_cell_formula_units_Z   2
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  Zr0  1  0.334  0.663  0.918  1.0
  Zr  Zr1  1  0.003  0.004  0.248  1.0
  Zr  Zr2  1  0.668  0.334  0.583  1.0
  Zr  Zr3  1  0.332  0.666  0.667  1.0
  Zr  Zr4  1  0.997  0.996  0.002  1.0
  Zr  Zr5  1  0.666  0.337  0.332  1.0
  V  V6  1  0.168  0.335  0.457  1.0
  V  V7  1  0.832  0.665  0.793  1.0
  V  V8  1  0.336  0.672  0.291  1.0
  V  V9  1  1.000  1.000  0.625  1.0
  V  V10  1  0.665  0.328  0.959  1.0
  V  V11  1  0.000  0.500  0.125  1.0
  V  V12  1  0.668  0.836  0.458  1.0
  V  V13  1  0.332  0.164  0.792  1.0
  Fe  Fe14  1  0.500  0.500  0.125  1.0
  Fe  Fe15  1  0.167  0.835  0.458  1.0
  Fe  Fe16  1  0.833  0.165  0.792  1.0
  Fe  Fe17  1  0.500  0.000  0.125  1.0
[/CIF]
.
The compound described by Zr3(V2Fe)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(3), three equivalent Zr(2), one V(4), two equivalent V(1), two equivalent V(5), three equivalent V(2), one Fe(1), one Fe(3), and two equivalent Fe(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), one V(1), one V(5), two equivalent V(4), three equivalent V(2), one Fe(2), two equivalent Fe(1), and two equivalent Fe(3) atoms. In the third Zr site, Zr(3) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(3), three equivalent V(1), three equivalent V(3), three equivalent V(5), and three equivalent Fe(2) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded to one Zr(2), two equivalent Zr(1), three equivalent Zr(3), one V(2), one V(3), two equivalent V(5), and two equivalent Fe(2) atoms to form VZr6V4Fe2 cuboctahedra that share  a cornercorner with one Fe(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(4)Zr6V2Fe4 cuboctahedra, corners with two equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with two equivalent V(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(2)Zr6V6 cuboctahedra, corners with five equivalent V(1)Zr6V4Fe2 cuboctahedra, edges with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, edges with four equivalent V(1)Zr6V4Fe2 cuboctahedra,  a faceface with one V(4)Zr6V2Fe4 cuboctahedra,  a faceface with one Fe(1)Zr6V4Fe2 cuboctahedra, faces with three equivalent V(2)Zr6V3Fe3 cuboctahedra, faces with three equivalent V(3)Zr6V4Fe2 cuboctahedra, faces with five equivalent V(5)Zr6V4Fe2 cuboctahedra, and faces with five equivalent Fe(2)Zr6V6 cuboctahedra. In the second V site, V(2) is bonded to three equivalent Zr(1), three equivalent Zr(2), one V(1), one V(4), one V(5), one Fe(1), one Fe(2), and one Fe(3) atom to form VZr6V3Fe3 cuboctahedra that share corners with two equivalent V(4)Zr6V2Fe4 cuboctahedra, corners with two equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(2)Zr6V6 cuboctahedra, corners with three equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with three equivalent V(3)Zr6V4Fe2 cuboctahedra, edges with six equivalent V(2)Zr6V3Fe3 cuboctahedra, faces with three equivalent V(4)Zr6V2Fe4 cuboctahedra, faces with three equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with three equivalent V(5)Zr6V4Fe2 cuboctahedra, faces with three equivalent Fe(1)Zr6V4Fe2 cuboctahedra, faces with three equivalent Fe(3)Zr6V4Fe2 cuboctahedra, and faces with three equivalent Fe(2)Zr6V6 cuboctahedra. In the third V site, V(3) is bonded to six equivalent Zr(3), two equivalent V(1), two equivalent V(5), and two equivalent Fe(2) atoms to form VZr6V4Fe2 cuboctahedra that share corners with four equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with four equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr6V6 cuboctahedra, corners with six equivalent V(2)Zr6V3Fe3 cuboctahedra, edges with six equivalent V(3)Zr6V4Fe2 cuboctahedra, faces with six equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with six equivalent V(5)Zr6V4Fe2 cuboctahedra, and faces with six equivalent Fe(2)Zr6V6 cuboctahedra. In the fourth V site, V(4) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent V(2), two equivalent Fe(1), and two equivalent Fe(3) atoms to form VZr6V2Fe4 cuboctahedra that share corners with two equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with four equivalent V(4)Zr6V2Fe4 cuboctahedra, corners with four equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with four equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr6V6 cuboctahedra, edges with two equivalent V(4)Zr6V2Fe4 cuboctahedra, edges with four equivalent V(5)Zr6V4Fe2 cuboctahedra, faces with two equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with two equivalent Fe(2)Zr6V6 cuboctahedra, faces with four equivalent Fe(1)Zr6V4Fe2 cuboctahedra, faces with four equivalent Fe(3)Zr6V4Fe2 cuboctahedra, and faces with six equivalent V(2)Zr6V3Fe3 cuboctahedra. In the fifth V site, V(5) is bonded to one Zr(2), two equivalent Zr(1), three equivalent Zr(3), one V(2), one V(3), two equivalent V(1), and two equivalent Fe(2) atoms to form VZr6V4Fe2 cuboctahedra that share  a cornercorner with one V(4)Zr6V2Fe4 cuboctahedra, corners with two equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with two equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(2)Zr6V6 cuboctahedra, corners with five equivalent V(5)Zr6V4Fe2 cuboctahedra, edges with two equivalent V(4)Zr6V2Fe4 cuboctahedra, edges with four equivalent V(5)Zr6V4Fe2 cuboctahedra,  a faceface with one Fe(1)Zr6V4Fe2 cuboctahedra,  a faceface with one Fe(3)Zr6V4Fe2 cuboctahedra, faces with three equivalent V(2)Zr6V3Fe3 cuboctahedra, faces with three equivalent V(3)Zr6V4Fe2 cuboctahedra, faces with five equivalent V(1)Zr6V4Fe2 cuboctahedra, and faces with five equivalent Fe(2)Zr6V6 cuboctahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent V(2), two equivalent V(4), and two equivalent Fe(3) atoms to form FeZr6V4Fe2 cuboctahedra that share corners with two equivalent Fe(2)Zr6V6 cuboctahedra, corners with four equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with four equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with four equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(1)Zr6V4Fe2 cuboctahedra, edges with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, edges with four equivalent Fe(2)Zr6V6 cuboctahedra, faces with two equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with two equivalent V(5)Zr6V4Fe2 cuboctahedra, faces with four equivalent V(4)Zr6V2Fe4 cuboctahedra, faces with four equivalent Fe(3)Zr6V4Fe2 cuboctahedra, and faces with six equivalent V(2)Zr6V3Fe3 cuboctahedra. In the second Fe site, Fe(2) is bonded to one Zr(2), two equivalent Zr(1), three equivalent Zr(3), one V(2), one V(3), two equivalent V(1), and two equivalent V(5) atoms to form FeZr6V6 cuboctahedra that share  a cornercorner with one Fe(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(4)Zr6V2Fe4 cuboctahedra, corners with two equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with two equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(3)Zr6V4Fe2 cuboctahedra, corners with two equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, corners with five equivalent Fe(2)Zr6V6 cuboctahedra, edges with two equivalent Fe(1)Zr6V4Fe2 cuboctahedra, edges with four equivalent Fe(2)Zr6V6 cuboctahedra,  a faceface with one V(4)Zr6V2Fe4 cuboctahedra,  a faceface with one Fe(3)Zr6V4Fe2 cuboctahedra, faces with three equivalent V(2)Zr6V3Fe3 cuboctahedra, faces with three equivalent V(3)Zr6V4Fe2 cuboctahedra, faces with five equivalent V(1)Zr6V4Fe2 cuboctahedra, and faces with five equivalent V(5)Zr6V4Fe2 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Zr(1), four equivalent Zr(2), two equivalent V(2), two equivalent V(4), and two equivalent Fe(1) atoms to form FeZr6V4Fe2 cuboctahedra that share corners with two equivalent V(1)Zr6V4Fe2 cuboctahedra, corners with four equivalent V(2)Zr6V3Fe3 cuboctahedra, corners with four equivalent V(5)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(3)Zr6V4Fe2 cuboctahedra, corners with four equivalent Fe(2)Zr6V6 cuboctahedra, edges with two equivalent Fe(3)Zr6V4Fe2 cuboctahedra, edges with four equivalent V(1)Zr6V4Fe2 cuboctahedra, faces with two equivalent V(5)Zr6V4Fe2 cuboctahedra, faces with two equivalent Fe(2)Zr6V6 cuboctahedra, faces with four equivalent V(4)Zr6V2Fe4 cuboctahedra, faces with four equivalent Fe(1)Zr6V4Fe2 cuboctahedra, and faces with six equivalent V(2)Zr6V3Fe3 cuboctahedra. is represented by the CIF card [CIF]
data_Zr3(V2Fe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.085
_cell_length_b   5.103
_cell_length_c   12.704
_cell_angle_alpha   90.969
_cell_angle_beta   88.503
_cell_angle_gamma   118.973
_symmetry_Int_Tables_number   1
_cell_volume   288.304
_cell_formula_units_Z   2
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  Zr0  1  0.334  0.663  0.918  1.0
  Zr  Zr1  1  0.003  0.004  0.248  1.0
  Zr  Zr2  1  0.668  0.334  0.583  1.0
  Zr  Zr3  1  0.332  0.666  0.667  1.0
  Zr  Zr4  1  0.997  0.996  0.002  1.0
  Zr  Zr5  1  0.666  0.337  0.332  1.0
  V  V6  1  0.168  0.335  0.457  1.0
  V  V7  1  0.832  0.665  0.793  1.0
  V  V8  1  0.336  0.672  0.291  1.0
  V  V9  1  1.000  1.000  0.625  1.0
  V  V10  1  0.665  0.328  0.959  1.0
  V  V11  1  0.000  0.500  0.125  1.0
  V  V12  1  0.668  0.836  0.458  1.0
  V  V13  1  0.332  0.164  0.792  1.0
  Fe  Fe14  1  0.500  0.500  0.125  1.0
  Fe  Fe15  1  0.167  0.835  0.458  1.0
  Fe  Fe16  1  0.833  0.165  0.792  1.0
  Fe  Fe17  1  0.500  0.000  0.125  1.0
[/CIF]
.