data_[Au1C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6931]
_cell_length_b [4.1450]
_cell_length_c [4.8559]
_cell_angle_alpha [110.4371]
_cell_angle_beta [101.6276]
_cell_angle_gamma [105.8958]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AuC2]
_chemical_formula_sum '[Au1 C2]'
_cell_volume [63.2440]
_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
[
  Au  Au0  1  0.5688  0.7303  0.1505  1
  C  C1  1  0.1264  0.9612  0.1507  1
  C  C2  1  0.4114  0.2212  0.1507  1
]