data_Zn3SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3SbAu
_chemical_formula_sum   'Zn3 Sb1 Au1'
_cell_volume   117.94
_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  Zn1  1  0.45  0.0  0.45  1.0
  Zn  Zn2  1  0.45  0.45  0.0  1.0
  Zn  Zn3  1  0.0  0.45  0.45  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Au  Au4  1  0.45  0.45  0.45  1.0

data_Zn3SbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zn3SbAu
_chemical_formula_sum   'Zn9 Sb3 Au3'
_cell_volume   353.82
_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  0.03  0.52  0.97  1.0
  Sb  Sb1  3  0.0  0.0  0.0  1.0
  Au  Au2  3  0.0  0.0  0.45  1.0

Zn Zn Zn Sb Au
Zn Zn Zn Sb Au 0 4 o - o 0 4 o o o 0 3 + o + 0 3 + o o 0 3 o o + 0 3 o o o 1 4 o o - 1 4 o o o 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 4 - o o 2 4 o o o 2 3 o + + 2 3 o + o 2 3 o o + 2 3 o o o 3 4 o o o 
AuZn3Sb is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Au(1) is bonded to six equivalent Zn(1) atoms to form corner-sharing AuZn6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.22 Å) and three longer (2.69 Å) Au(1)-Zn(1) bond lengths. Zn(1) is bonded in a 2-coordinate geometry to two equivalent Au(1) and one Sb(1) atom. The Zn(1)-Sb(1) bond length is 3.13 Å. Sb(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms.