data_CuNiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   4.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiAg
_chemical_formula_sum   'Cu1 Ni1 Ag1'
_cell_volume   49.8
_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
  Cu  Cu1  1  0.92  0.92  0.92  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.38  0.38  0.38  1.0

data_CuNiAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   10.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuNiAg
_chemical_formula_sum   'Cu3 Ni3 Ag3'
_cell_volume   149.41
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cu  Cu0  3  0.0  0.0  0.08  1.0
  Ni  Ni1  3  0.0  0.0  -0.0  1.0
  Ag  Ag2  3  0.0  0.0  0.62  1.0

Cu Ni Ag
Cu Ni Ag 0 1 + + + 0 2 + + o 0 2 + o + 0 2 o + + 1 2 o o - 1 2 o - o 1 2 - o o 
NiAgCu crystallizes in the trigonal R3m space group. Ni(1) is bonded in a single-bond geometry to three equivalent Ag(1) and one Cu(1) atom. All Ni(1)-Ag(1) bond lengths are 2.43 Å. The Ni(1)-Cu(1) bond length is 0.81 Å. Ag(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1) and six equivalent Cu(1) atoms. There are three shorter (2.71 Å) and three longer (3.17 Å) Ag(1)-Cu(1) bond lengths. Cu(1) is bonded in a single-bond geometry to one Ni(1) and six equivalent Ag(1) atoms.