data_ZrV2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.69
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   97.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Au
_chemical_formula_sum   'Zr1 V2 Au1'
_cell_volume   68.71
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  V  V1  1  0.32  0.35  0.99  1.0
  V  V2  1  0.92  0.35  0.11  1.0
  Au  Au0  1  0.12  0.0  0.55  1.0

data_ZrV2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.69
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   97.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2Au
_chemical_formula_sum   'Zr1 V2 Au1'
_cell_volume   68.71
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.32  0.35  0.99  1.0
  V  V2  1  0.92  0.35  0.11  1.0
  Au  Au3  1  0.12  0.0  0.55  1.0

Zr V V Au
ZrV2Au crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(2), and two equivalent Au(1) atoms. The Zr(1)-V(1) bond length is 1.87 Å. There is one shorter (1.75 Å) and one longer (3.13 Å) Zr(1)-V(2) bond length. There is one shorter (2.38 Å) and one longer (2.80 Å) Zr(1)-Au(1) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent V(2), and one Au(1) atom. There is one shorter (1.35 Å) and one longer (1.75 Å) V(1)-V(2) bond length. The V(1)-Au(1) bond length is 2.80 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to two equivalent Zr(1), two equivalent V(1), and one Au(1) atom. The V(2)-Au(1) bond length is 2.80 Å. Au(1) is bonded in a 1-coordinate geometry to two equivalent Zr(1), one V(1), and one V(2) atom.