data_YV2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YV2Cr
_chemical_formula_sum   'Y1 V2 Cr1'
_cell_volume   67.33
_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
  Y  Y3  1  0.0  0.0  0.64  1.0
  V  V1  1  0.52  0.52  0.3  1.0
  V  V2  1  0.52  0.52  0.97  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_YV2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YV2Cr
_chemical_formula_sum   'Y2 V4 Cr2'
_cell_volume   134.66
_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
  Y  Y0  2  0.0  0.0  0.64  1.0
  V  V1  2  0.02  0.5  0.3  1.0
  V  V2  2  0.02  0.5  0.97  1.0
  Cr  Cr3  2  0.0  0.0  0.0  1.0

Y V V Cr
Y V V Cr 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 0 3 o o + 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 o o + 2 3 o + + 2 3 + o + 2 3 + + + 
YV2Cr crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 13-coordinate geometry to four equivalent Y(1), four equivalent V(1), four equivalent V(2), and one Cr(1) atom. All Y(1)-Y(1) bond lengths are 3.04 Å. There are a spread of Y(1)-V(1) bond distances ranging from 3.19-3.31 Å. There are a spread of Y(1)-V(2) bond distances ranging from 3.19-3.31 Å. The Y(1)-Cr(1) bond length is 2.65 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 13-coordinate geometry to four equivalent Y(1), one V(2), four equivalent V(1), and four equivalent Cr(1) atoms. The V(1)-V(2) bond length is 2.41 Å. All V(1)-V(1) bond lengths are 3.04 Å. There are a spread of V(1)-Cr(1) bond distances ranging from 3.01-3.14 Å. In the second V site, V(2) is bonded in a 4-coordinate geometry to four equivalent Y(1), one V(1), and four equivalent Cr(1) atoms. There are a spread of V(2)-Cr(1) bond distances ranging from 2.07-2.25 Å. Cr(1) is bonded to one Y(1), four equivalent V(1), and four equivalent V(2) atoms to form a mixture of distorted edge and face-sharing CrYV8 square pyramids.