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 [P2_1/m]
_cell_length_a [5.0601]
_cell_length_b [2.8101]
_cell_length_c [17.0563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na4B5C3]
_chemical_formula_sum '[Na8 B10 C6]'
_cell_volume [242.5255]
_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  0.2500  0.2500  0.0000  1
  Na  Na1  2  0.2501  0.2500  0.2461  1
  Na  Na2  2  0.2518  0.2500  0.7529  1
  Na  Na3  2  0.2519  0.2500  0.5009  1
  B  B4  2  0.0804  0.7500  0.8769  1
  B  B5  2  0.0983  0.7500  0.6269  1
  B  B6  2  0.1125  0.7500  0.3731  1
  B  B7  2  0.4196  0.7500  0.1231  1
  B  B8  2  0.4294  0.7500  0.6268  1
  C  C9  2  0.0851  0.7500  0.1230  1
  C  C10  2  0.4148  0.7500  0.8769  1
  C  C11  2  0.4150  0.7500  0.3731  1
]