data_[Al4Au4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9352]
_cell_length_b [4.1136]
_cell_length_c [2.6594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlAuC]
_chemical_formula_sum '[Al4 Au4 C4]'
_cell_volume [194.4392]
_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
[
  Al  Al0  4  0.1318  0.0000  0.3693  1
  Au  Au1  4  0.1891  0.5000  0.9199  1
  C  C2  4  0.0171  0.0000  0.2653  1
]