data_UPt4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UPt4Au
_chemical_formula_sum   'U1 Pt4 Au1'
_cell_volume   107.63
_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
  U  U0  1  0.89  0.89  0.89  1.0
  Pt  Pt1  1  0.72  0.72  0.72  1.0
  Pt  Pt2  1  0.72  0.83  0.83  1.0
  Pt  Pt3  1  0.83  0.83  0.72  1.0
  Pt  Pt4  1  0.83  0.72  0.83  1.0
  Au  Au5  1  0.0  0.0  0.0  1.0

data_UPt4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   13.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   UPt4Au
_chemical_formula_sum   'U3 Pt12 Au3'
_cell_volume   322.9
_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
  U  U0  3  0.0  0.0  0.11  1.0
  Pt  Pt1  9  0.07  0.04  0.21  1.0
  Pt  Pt2  3  0.0  0.0  0.28  1.0
  Au  Au3  3  0.0  0.0  0.0  1.0

U Pt Pt Pt Pt Au
UPt4Au is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three UPt4Au clusters. U(1) is bonded in a distorted single-bond geometry to three equivalent Pt(2) and one Au(1) atom. All U(1)-Pt(2) bond lengths are 1.28 Å. The U(1)-Au(1) bond length is 1.47 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to three equivalent Pt(2) atoms. All Pt(1)-Pt(2) bond lengths are 0.99 Å. In the second Pt site, Pt(2) is bonded in a 4-coordinate geometry to one U(1), one Pt(1), and two equivalent Pt(2) atoms. Both Pt(2)-Pt(2) bond lengths are 0.57 Å. Au(1) is bonded in a single-bond geometry to one U(1) atom.