data_KMgPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgPbAu
_chemical_formula_sum   'K1 Mg1 Pb1 Au1'
_cell_volume   100.57
_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  K1  1  0.85  0.85  0.85  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.69  0.69  0.69  1.0
  Au  Au0  1  0.54  0.54  0.54  1.0

data_KMgPbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KMgPbAu
_chemical_formula_sum   'K3 Mg3 Pb3 Au3'
_cell_volume   301.72
_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  0.15  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.31  1.0
  Au  Au3  3  0.0  0.0  0.46  1.0

K Mg Pb Au
KMgAuPb crystallizes in the trigonal R3m space group. K(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Au(1), and one Pb(1) atom. The K(1)-Mg(1) bond length is 1.98 Å. All K(1)-Au(1) bond lengths are 3.03 Å. The K(1)-Pb(1) bond length is 1.98 Å. Mg(1) is bonded to one K(1) and three equivalent Pb(1) atoms to form distorted MgKPb3 trigonal pyramids that share corners with six equivalent Mg(1)KPb3 trigonal pyramids and edges with three equivalent Au(1)K3Pb trigonal pyramids. All Mg(1)-Pb(1) bond lengths are 3.03 Å. Au(1) is bonded to three equivalent K(1) and one Pb(1) atom to form AuK3Pb trigonal pyramids that share corners with six equivalent Au(1)K3Pb trigonal pyramids and edges with three equivalent Mg(1)KPb3 trigonal pyramids. The Au(1)-Pb(1) bond length is 1.98 Å. Pb(1) is bonded in a 5-coordinate geometry to one K(1), three equivalent Mg(1), and one Au(1) atom.