data_CaVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   124.75
_cell_angle_beta   119.64
_cell_angle_gamma   86.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVAu2
_chemical_formula_sum   'Ca1 V1 Au2'
_cell_volume   81.93
_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
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.6  1.0
  Au  Au0  1  0.0  0.48  0.66  1.0
  Au  Au1  1  0.29  0.0  0.95  1.0

data_CaVAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   60.36
_cell_angle_beta   62.37
_cell_angle_gamma   62.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVAu2
_chemical_formula_sum   'Ca1 V1 Au2'
_cell_volume   81.93
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.0  0.6  1.0
  Au  Au2  1  0.0  0.71  0.95  1.0
  Au  Au3  1  0.48  0.0  0.17  1.0

Ca V Au Au
CaVAu2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to two equivalent V(1), two equivalent Au(1), and two equivalent Au(2) atoms. There is one shorter (1.96 Å) and one longer (2.98 Å) Ca(1)-V(1) bond length. There is one shorter (2.11 Å) and one longer (2.71 Å) Ca(1)-Au(1) bond length. There is one shorter (1.58 Å) and one longer (3.38 Å) Ca(1)-Au(2) bond length. V(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one Au(1), and one Au(2) atom. The V(1)-Au(1) bond length is 2.25 Å. The V(1)-Au(2) bond length is 1.59 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one V(1) atom. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and one V(1) atom.