data_[Na8B10C6]
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 [Pmc2_1]
_cell_length_a [8.5221]
_cell_length_b [5.7837]
_cell_length_c [4.9267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na4B5C3]
_chemical_formula_sum '[Na8 B10 C6]'
_cell_volume [242.8345]
_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  4  0.2524  0.3753  0.4998  1
  Na  Na1  4  0.2531  0.1247  0.0011  1
  B  B2  2  0.0000  0.1228  0.6807  1
  B  B3  2  0.0000  0.1401  0.3095  1
  B  B4  2  0.0000  0.3839  0.8363  1
  B  B5  2  0.5000  0.1250  0.6662  1
  B  B6  2  0.5000  0.3749  0.1664  1
  C  C7  2  0.0000  0.3815  0.1735  1
  C  C8  2  0.5000  0.1250  0.3330  1
  C  C9  2  0.5000  0.3749  0.8329  1
]