data_AuC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   5.46
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AuC3
_chemical_formula_sum   'Au4 C12'
_cell_volume   213.61
_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  0.5  0.37  0.44  1.0
  Au  Au1  1  0.54  0.1  0.66  1.0
  Au  Au2  1  0.54  0.37  0.78  1.0
  Au  Au3  1  0.57  0.1  0.99  1.0
  C  C4  1  0.62  0.37  0.43  1.0
  C  C5  1  0.42  0.1  0.64  1.0
  C  C6  1  0.65  0.37  0.79  1.0
  C  C7  1  0.46  0.1  0.01  1.0
  C  C8  1  0.46  0.66  0.72  1.0
  C  C9  1  0.65  0.8  0.5  1.0
  C  C10  1  0.42  0.07  0.94  1.0
  C  C11  1  0.62  0.39  0.72  1.0
  C  C12  1  0.62  0.8  0.72  1.0
  C  C13  1  0.42  0.66  0.94  1.0
  C  C14  1  0.65  0.39  0.5  1.0
  C  C15  1  0.46  0.07  0.72  1.0

data_AuC3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.46
_cell_length_b   6.07
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AuC3
_chemical_formula_sum   'Au4 C12'
_cell_volume   213.61
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.37  0.0  0.94  1.0
  Au  Au1  2  0.37  0.04  0.28  1.0
  C  C2  2  0.07  0.12  0.78  1.0
  C  C3  2  0.07  0.08  0.0  1.0
  C  C4  2  0.34  0.88  0.22  1.0
  C  C5  2  0.34  0.92  1.0  1.0
  C  C6  2  0.37  0.88  0.93  1.0
  C  C7  2  0.37  0.92  0.29  1.0

Au Au Au Au C C C C C C C C C C C C