data_Zn4NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn4NiAg
_chemical_formula_sum   'Zn4 Ni1 Ag1'
_cell_volume   87.12
_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
  Zn  Zn2  1  0.4  0.4  0.64  1.0
  Zn  Zn3  1  0.4  0.64  0.4  1.0
  Zn  Zn4  1  0.64  0.4  0.4  1.0
  Zn  Zn5  1  0.64  0.64  0.64  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.28  0.28  0.28  1.0

data_Zn4NiAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn4NiAg
_chemical_formula_sum   'Zn12 Ni3 Ag3'
_cell_volume   261.35
_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
  Zn  Zn0  9  0.08  0.16  0.52  1.0
  Zn  Zn1  3  0.0  0.0  0.36  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0
  Ag  Ag3  3  0.0  0.0  0.72  1.0

Zn Zn Zn Zn Ni Ag
Zn Zn Zn Zn Ni Ag 0 2 o o o 0 1 o o o 0 3 o o o 0 4 + o + 0 4 o + + 0 4 o o + 0 5 o o + 0 5 o o o 1 2 o o o 1 3 o o o 1 4 + + o 1 4 o + + 1 4 o + o 1 5 o + o 1 5 o o o 2 3 o o o 2 4 + + o 2 4 + o + 2 4 + o o 2 5 + o o 2 5 o o o 3 4 + + o 3 4 + o + 3 4 o + + 3 5 + o o 3 5 o + o 3 5 o o + 4 5 - o o 4 5 o - o 4 5 o o - 4 5 o o o 
NiAgZn4 crystallizes in the trigonal R3m space group. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Ag(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. All Ni(1)-Ag(1) bond lengths are 2.95 Å. All Ni(1)-Zn(1) bond lengths are 2.82 Å. All Ni(1)-Zn(2) bond lengths are 2.90 Å. Ag(1) is bonded in a 12-coordinate geometry to three equivalent Ni(1), three equivalent Zn(2), and six equivalent Zn(1) atoms. All Ag(1)-Zn(2) bond lengths are 2.89 Å. There are three shorter (2.55 Å) and three longer (2.72 Å) Ag(1)-Zn(1) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to one Ni(1), two equivalent Ag(1), one Zn(2), and two equivalent Zn(1) atoms. The Zn(1)-Zn(2) bond length is 2.04 Å. Both Zn(1)-Zn(1) bond lengths are 1.18 Å. In the second Zn site, Zn(2) is bonded in a distorted q6 geometry to three equivalent Ni(1), three equivalent Ag(1), and three equivalent Zn(1) atoms.