data_Au4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   7.61
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Au4C
_chemical_formula_sum   'Au16 C4'
_cell_volume   339.35
_cell_formula_units_Z   4
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
  Au  Au0  1  0.28  0.28  0.28  1.0
  Au  Au1  1  0.89  0.11  0.11  1.0
  Au  Au2  1  0.11  0.89  0.11  1.0
  Au  Au3  1  0.11  0.11  0.89  1.0
  Au  Au4  1  0.0  0.0  0.3  1.0
  Au  Au5  1  0.0  0.0  0.49  1.0
  Au  Au6  1  0.0  0.3  0.0  1.0
  Au  Au7  1  0.0  0.49  0.0  1.0
  Au  Au8  1  0.3  0.0  0.0  1.0
  Au  Au9  1  0.49  0.0  0.0  1.0
  Au  Au10  1  0.39  0.0  0.2  1.0
  Au  Au11  1  0.0  0.39  0.2  1.0
  Au  Au12  1  0.0  0.2  0.39  1.0
  Au  Au13  1  0.39  0.2  0.0  1.0
  Au  Au14  1  0.2  0.39  0.0  1.0
  Au  Au15  1  0.2  0.0  0.39  1.0
  C  C16  1  0.1  0.1  0.1  1.0
  C  C17  1  0.71  0.29  0.29  1.0
  C  C18  1  0.29  0.71  0.29  1.0
  C  C19  1  0.29  0.29  0.71  1.0

data_Au4C
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.43
_cell_length_b   12.43
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Au4C
_chemical_formula_sum   'Au48 C12'
_cell_volume   1018.04
_cell_formula_units_Z   12
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Au  Au0  18  0.0  0.2  0.2  1.0
  Au  Au1  9  0.07  0.15  0.04  1.0
  Au  Au2  9  0.17  0.34  0.83  1.0
  Au  Au3  9  0.2  0.1  0.1  1.0
  Au  Au4  3  0.0  0.0  0.28  1.0
  C  C5  9  0.19  0.39  0.1  1.0
  C  C6  3  0.0  0.0  0.1  1.0

Au Au Au Au Au Au Au Au Au Au Au Au Au Au Au Au C C C C
Au4C crystallizes in the trigonal R3m space group. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one C(1) atom. The Au(1)-C(1) bond length is 1.38 Å. In the second Au site, Au(2) is bonded in a 3-coordinate geometry to one Au(4), two equivalent Au(5), one C(1), and one C(2) atom. The Au(2)-Au(4) bond length is 2.61 Å. Both Au(2)-Au(5) bond lengths are 1.81 Å. The Au(2)-C(1) bond length is 1.67 Å. The Au(2)-C(2) bond length is 2.64 Å. In the third Au site, Au(3) is bonded in a 3-coordinate geometry to one Au(4) and two equivalent Au(5) atoms. The Au(3)-Au(4) bond length is 1.44 Å. Both Au(3)-Au(5) bond lengths are 1.43 Å. In the fourth Au site, Au(4) is bonded in a 5-coordinate geometry to one Au(2), one Au(3), two equivalent Au(5), and one C(2) atom. Both Au(4)-Au(5) bond lengths are 1.87 Å. The Au(4)-C(2) bond length is 2.10 Å. In the fifth Au site, Au(5) is bonded in a 2-coordinate geometry to one Au(2), one Au(3), one Au(4), and two equivalent C(2) atoms. There is one shorter (2.33 Å) and one longer (2.52 Å) Au(5)-C(2) bond length. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted tetrahedral geometry to one Au(1) and three equivalent Au(2) atoms. In the second C site, C(2) is bonded in a 6-coordinate geometry to one Au(2), one Au(4), and four equivalent Au(5) atoms.