data_[Cu16C24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [9.8129]
_cell_length_b [13.9558]
_cell_length_c [3.0407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Cu2C3]
_chemical_formula_sum '[Cu16 C24]'
_cell_volume [416.4155]
_cell_formula_units_Z [8]
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
[
  Cu  Cu0  16  0.0128  0.1713  0.7002  1
  C  C1  16  0.1119  0.4479  0.4535  1
  C  C2  8  0.0000  0.0000  0.9425  1
]