data_ZrFeSbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeSbAu
_chemical_formula_sum   'Zr1 Fe1 Sb1 Au1'
_cell_volume   76.14
_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
  Zr  Zr1  1  0.68  0.68  0.68  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.36  0.36  0.36  1.0
  Au  Au3  1  0.05  0.05  0.05  1.0

data_ZrFeSbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   11.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrFeSbAu
_chemical_formula_sum   'Zr3 Fe3 Sb3 Au3'
_cell_volume   228.43
_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
  Zr  Zr0  3  0.0  0.0  0.32  1.0
  Fe  Fe1  3  0.0  0.0  0.0  1.0
  Sb  Sb2  3  0.0  0.0  0.64  1.0
  Au  Au3  3  0.0  0.0  0.95  1.0

Zr Fe Sb Au
ZrFeAuSb crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 11-coordinate geometry to four equivalent Fe(1), three equivalent Au(1), and four equivalent Sb(1) atoms. There are three shorter (2.75 Å) and one longer (3.71 Å) Zr(1)-Fe(1) bond length. All Zr(1)-Au(1) bond lengths are 2.77 Å. There are three shorter (2.75 Å) and one longer (3.71 Å) Zr(1)-Sb(1) bond length. Fe(1) is bonded in a single-bond geometry to four equivalent Zr(1), one Au(1), and three equivalent Sb(1) atoms. The Fe(1)-Au(1) bond length is 0.54 Å. All Fe(1)-Sb(1) bond lengths are 2.77 Å. Au(1) is bonded in a single-bond geometry to three equivalent Zr(1), one Fe(1), and three equivalent Sb(1) atoms. All Au(1)-Sb(1) bond lengths are 2.75 Å. Sb(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), three equivalent Fe(1), and three equivalent Au(1) atoms.