data_KFeNiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeNiAu
_chemical_formula_sum   'K1 Fe1 Ni1 Au1'
_cell_volume   74.08
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.67  0.67  0.67  1.0
  Ni  Ni3  1  0.33  0.33  0.33  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_KFeNiAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KFeNiAu
_chemical_formula_sum   'K3 Fe3 Ni3 Au3'
_cell_volume   222.25
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Fe  Fe1  3  0.0  0.0  0.33  1.0
  Ni  Ni2  3  0.0  0.0  0.67  1.0
  Au  Au3  3  0.0  0.0  1.0  1.0

KFeNiAu crystallizes in the trigonal R3m space group. K(1) is bonded in a single-bond geometry to four equivalent Fe(1), three equivalent Ni(1), and one Au(1) atom. There are three shorter (2.72 Å) and one longer (3.85 Å) K(1)-Fe(1) bond length. All K(1)-Ni(1) bond lengths are 2.72 Å. The K(1)-Au(1) bond length is 0.00 Å. Fe(1) is bonded in a distorted q6 geometry to four equivalent K(1), three equivalent Ni(1), and three equivalent Au(1) atoms. All Fe(1)-Ni(1) bond lengths are 2.72 Å. All Fe(1)-Au(1) bond lengths are 2.72 Å. Ni(1) is bonded in a q6 geometry to three equivalent K(1), three equivalent Fe(1), and three equivalent Au(1) atoms. All Ni(1)-Au(1) bond lengths are 2.72 Å. Au(1) is bonded in a single-bond geometry to one K(1), three equivalent Fe(1), and three equivalent Ni(1) atoms.