data_CaNiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   4.5
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiAu2
_chemical_formula_sum   'Ca1 Ni1 Au2'
_cell_volume   84.78
_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  0.76  0.0  0.55  1.0
  Ni  Ni3  1  0.99  0.25  0.91  1.0
  Au  Au0  1  0.9  0.0  0.98  1.0
  Au  Au1  1  0.56  0.25  0.42  1.0

data_CaNiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.5
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNiAu2
_chemical_formula_sum   'Ca1 Ni1 Au2'
_cell_volume   84.78
_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  0.76  0.0  0.55  1.0
  Ni  Ni1  1  0.99  0.25  0.91  1.0
  Au  Au2  1  0.56  0.25  0.42  1.0
  Au  Au3  1  0.9  0.0  0.98  1.0

Ca Ni Au Au
Ca Ni Au Au 0 3 o o o 1 2 o o o 
CaAuNiAu is Tetraauricupride structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaAu cluster and one NiAu cluster. In the CaAu cluster, Ca(1) is bonded in a distorted single-bond geometry to one Au(2) atom. The Ca(1)-Au(2) bond length is 1.51 Å. Au(2) is bonded in a single-bond geometry to one Ca(1) atom. In the NiAu cluster, Ni(1) is bonded in a distorted single-bond geometry to one Au(1) atom. The Ni(1)-Au(1) bond length is 1.24 Å. Au(1) is bonded in a distorted single-bond geometry to one Ni(1) atom.