data_KNaAlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaAlAu
_chemical_formula_sum   'K1 Na1 Al1 Au1'
_cell_volume   98.31
_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  0.49  0.49  0.49  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.66  0.66  0.66  1.0
  Au  Au1  1  0.83  0.83  0.83  1.0

data_KNaAlAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNaAlAu
_chemical_formula_sum   'K3 Na3 Al3 Au3'
_cell_volume   294.94
_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  0.51  1.0
  Na  Na1  3  0.0  0.0  0.0  1.0
  Al  Al2  3  0.0  0.0  0.34  1.0
  Au  Au3  3  0.0  0.0  0.17  1.0

K Na Al Au
K Na Al Au 0 2 o o o 1 3 - - - 2 3 o o o 
KNaAuAl crystallizes in the trigonal R3m space group. K(1) is bonded to three equivalent Au(1) and one Al(1) atom to form distorted KAlAu3 trigonal pyramids that share  a cornercorner with one Au(1)K3NaAl trigonal bipyramid and corners with six equivalent K(1)AlAu3 trigonal pyramids. All K(1)-Au(1) bond lengths are 2.99 Å. The K(1)-Al(1) bond length is 2.14 Å. Na(1) is bonded in a distorted single-bond geometry to one Au(1) atom. The Na(1)-Au(1) bond length is 2.14 Å. Au(1) is bonded to three equivalent K(1), one Na(1), and one Al(1) atom to form distorted AuK3NaAl trigonal bipyramids that share corners with six equivalent Au(1)K3NaAl trigonal bipyramids and  a cornercorner with one K(1)AlAu3 trigonal pyramid. The Au(1)-Al(1) bond length is 2.14 Å. Al(1) is bonded in a distorted linear geometry to one K(1) and one Au(1) atom.