data_YV2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38
_cell_length_b   9.38
_cell_length_c   9.38
_cell_angle_alpha   17.96
_cell_angle_beta   17.96
_cell_angle_gamma   17.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YV2Cu
_chemical_formula_sum   'Y1 V2 Cu1'
_cell_volume   68.51
_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  0.84  1.0
  V  V1  1  0.0  0.0  0.2  1.0
  V  V2  1  0.0  0.0  0.48  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_YV2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   2.93
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   100.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YV2Cu
_chemical_formula_sum   'Y2 V4 Cu2'
_cell_volume   137.03
_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  0.16  1.0
  V  V1  2  0.0  0.0  0.52  1.0
  V  V2  2  0.0  0.0  0.8  1.0
  Cu  Cu3  2  0.0  0.0  0.0  1.0

Y V V Cu
Y V V Cu 0 3 o o + 0 2 o o o 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
YV2Cu crystallizes in the monoclinic Cm space group. Y(1) is bonded in a single-bond geometry to one V(2) and one Cu(1) atom. The Y(1)-V(2) bond length is 3.38 Å. The Y(1)-Cu(1) bond length is 1.51 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one V(2) and one Cu(1) atom. The V(1)-V(2) bond length is 2.62 Å. The V(1)-Cu(1) bond length is 1.87 Å. In the second V site, V(2) is bonded to one Y(1), one V(1), and six equivalent V(2) atoms to form a mixture of distorted edge and corner-sharing VYV7 hexagonal bipyramids. All V(2)-V(2) bond lengths are 2.93 Å. Cu(1) is bonded in a distorted linear geometry to one Y(1) and one V(1) atom.