data_NiAgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   17.98
_cell_angle_beta   17.98
_cell_angle_gamma   17.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgAu2
_chemical_formula_sum   'Ni1 Ag1 Au2'
_cell_volume   65.21
_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
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.6  1.0
  Au  Au1  1  0.0  0.0  0.24  1.0
  Au  Au2  1  0.0  0.0  0.97  1.0

data_NiAgAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   100.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiAgAu2
_chemical_formula_sum   'Ni2 Ag2 Au4'
_cell_volume   130.43
_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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.4  1.0
  Au  Au2  2  0.0  0.0  0.03  1.0
  Au  Au3  2  0.0  0.0  0.76  1.0

Ni Ag Au Au
NiAu2Ag crystallizes in the monoclinic Cm space group. Ni(1) is bonded in a single-bond geometry to one Au(1) and one Au(2) atom. The Ni(1)-Au(1) bond length is 2.23 Å. The Ni(1)-Au(2) bond length is 0.30 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Ag(1) atom. The Au(1)-Ag(1) bond length is 3.35 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one Ni(1) and one Ag(1) atom. The Au(2)-Ag(1) bond length is 3.35 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Au(1); one Au(2); and six Ag(1,1) atoms to form a mixture of edge and corner-sharing AgAg6Au2 hexagonal bipyramids. All Ag(1)-Ag(1,1) bond lengths are 2.88 Å. In the second Ag site, Ag(1) is bonded to one Au(1); one Au(2); and six Ag(1,1) atoms to form a mixture of edge and corner-sharing AgAg6Au2 hexagonal bipyramids. The Ag(1)-Au(1) bond length is 3.35 Å. The Ag(1)-Au(2) bond length is 3.35 Å. Both Ag(1)-Ag(1) bond lengths are 2.88 Å.