data_Y2HfV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfV
_chemical_formula_sum   'Y2 Hf1 V1'
_cell_volume   96.43
_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  Y2  1  0.61  0.3  0.62  1.0
  Y  Y3  1  0.61  0.7  0.62  1.0
  Hf  Hf0  1  0.22  0.0  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0

data_Y2HfV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   110.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfV
_chemical_formula_sum   'Y2 Hf1 V1'
_cell_volume   96.43
_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  Y0  1  0.62  0.61  0.3  1.0
  Y  Y1  1  0.62  0.61  0.7  1.0
  Hf  Hf2  1  0.0  0.22  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Y Y Hf V
Y Y Hf V 0 2 o o + 0 1 o o o 1 3 + + + 2 3 o o o 
Y2HfV crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to one Y(2), two equivalent Hf(1), and one V(1) atom. The Y(1)-Y(2) bond length is 2.22 Å. There is one shorter (2.57 Å) and one longer (3.04 Å) Y(1)-Hf(1) bond length. The Y(1)-V(1) bond length is 3.42 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent V(1) atoms. There is one shorter (2.57 Å) and one longer (3.04 Å) Y(2)-V(1) bond length. Hf(1) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one V(1) atom. The Hf(1)-V(1) bond length is 1.25 Å. V(1) is bonded in a distorted single-bond geometry to one Y(1), two equivalent Y(2), and one Hf(1) atom.