data_[Na10B16C4]
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 [Pm]
_cell_length_a [5.0908]
_cell_length_b [8.6324]
_cell_length_c [7.7608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na5(B4C)2]
_chemical_formula_sum '[Na10 B16 C4]'
_cell_volume [322.2179]
_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  0.0007  0.2523  0.0013  1
  Na  Na1  2  0.2009  0.2523  0.3997  1
  Na  Na2  2  0.3975  0.2511  0.7992  1
  Na  Na3  2  0.6006  0.2527  0.1992  1
  Na  Na4  2  0.7970  0.2536  0.6006  1
  B  B5  1  0.0630  0.5000  0.8021  1
  B  B6  1  0.0637  0.0000  0.8085  1
  B  B7  1  0.1183  0.0000  0.6034  1
  B  B8  1  0.1541  0.5000  0.6004  1
  B  B9  1  0.2616  0.0000  0.1997  1
  B  B10  1  0.3407  0.0000  0.9970  1
  B  B11  1  0.3488  0.5000  0.0096  1
  B  B12  1  0.4544  0.0000  0.5915  1
  B  B13  1  0.5206  0.5000  0.3987  1
  B  B14  1  0.5437  0.0000  0.4035  1
  B  B15  1  0.6905  0.0000  0.0178  1
  B  B16  1  0.7161  0.0000  0.7955  1
  B  B17  1  0.7216  0.5000  0.8017  1
  B  B18  1  0.8612  0.5000  0.3980  1
  B  B19  1  0.8719  0.0000  0.3817  1
  B  B20  1  0.9393  0.5000  0.1907  1
  C  C21  1  0.2655  0.5000  0.2002  1
  C  C22  1  0.4620  0.5000  0.6002  1
  C  C23  1  0.6649  0.5000  0.9998  1
  C  C24  1  0.9448  0.0000  0.1999  1
]