data_[Sc8Cu2C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.3211]
_cell_length_b [3.3211]
_cell_length_c [24.4356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Sc4CuC3]
_chemical_formula_sum '[Sc8 Cu2 C6]'
_cell_volume [233.4079]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  4  0.0000  0.0000  0.1603  1
  Sc  Sc1  4  0.3333  0.6667  0.0561  1
  Cu  Cu2  2  0.3333  0.6667  0.2500  1
  C  C3  4  0.3333  0.6667  0.6161  1
  C  C4  2  0.0000  0.0000  0.0000  1
]