data_Y3AuC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3AuC
_chemical_formula_sum   'Y3 Au1 C1'
_cell_volume   115.18
_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
  Y  Y0  1  0.0  0.43  0.0  1.0
  Y  Y1  1  0.0  0.0  0.43  1.0
  Y  Y2  1  0.43  0.0  0.0  1.0
  Au  Au4  1  0.43  0.43  0.43  1.0
  C  C3  1  0.0  0.0  0.0  1.0

data_Y3AuC
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y3AuC
_chemical_formula_sum   'Y9 Au3 C3'
_cell_volume   345.53
_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
  Y  Y0  9  0.19  0.38  0.81  1.0
  Au  Au1  3  0.0  0.0  0.43  1.0
  C  C2  3  0.0  0.0  0.0  1.0

Y Y Y Au C
Y Y Y Au C 0 4 o o o 0 3 o o o 0 3 o o - 0 3 - o o 1 4 o o o 1 3 o o o 1 3 o - o 1 3 - o o 2 4 o o o 2 3 o o o 2 3 o o - 2 3 o - o 3 4 o o o 
Y3AuC is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Y(1) is bonded in a 1-coordinate geometry to four equivalent Au(1) and two equivalent C(1) atoms. There are a spread of Y(1)-Au(1) bond distances ranging from 2.98-3.90 Å. There is one shorter (2.11 Å) and one longer (2.76 Å) Y(1)-C(1) bond length. Au(1) is bonded to twelve equivalent Y(1) atoms to form distorted AuY12 cuboctahedra that share corners with twelve equivalent Au(1)Y12 cuboctahedra, faces with six equivalent Au(1)Y12 cuboctahedra, and faces with eight equivalent C(1)Y6 octahedra. C(1) is bonded to six equivalent Y(1) atoms to form CY6 octahedra that share corners with six equivalent C(1)Y6 octahedra and faces with eight equivalent Au(1)Y12 cuboctahedra. The corner-sharing octahedra are not tilted.