data_[Na6B8C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8806]
_cell_length_b [2.8806]
_cell_length_c [25.5662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3(B2C)2]
_chemical_formula_sum '[Na6 B8 C4]'
_cell_volume [183.7273]
_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
[
  Na  Na0  2  0.0000  0.0000  0.1707  1
  Na  Na1  2  0.0000  0.0000  0.3357  1
  Na  Na2  1  0.0000  0.0000  0.0000  1
  Na  Na3  1  0.0000  0.0000  0.5000  1
  B  B4  2  0.3333  0.6667  0.0857  1
  B  B5  2  0.3333  0.6667  0.4179  1
  B  B6  2  0.3333  0.6667  0.9143  1
  B  B7  2  0.3333  0.6667  0.7463  1
  C  C8  2  0.3333  0.6667  0.2538  1
  C  C9  2  0.3333  0.6667  0.5821  1
]