data_[Na8B14C2]
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/m]
_cell_length_a [5.3854]
_cell_length_b [2.8208]
_cell_length_c [17.3956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na4B7C]
_chemical_formula_sum '[Na8 B14 C2]'
_cell_volume [264.2609]
_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  0.0015  0.0000  0.7502  1
  Na  Na1  2  0.4998  0.5000  0.7495  1
  Na  Na2  1  0.0000  0.0000  0.0000  1
  Na  Na3  1  0.0000  0.0000  0.5000  1
  Na  Na4  1  0.5000  0.5000  0.0000  1
  Na  Na5  1  0.5000  0.5000  0.5000  1
  B  B6  2  0.1331  0.5000  0.3755  1
  B  B7  2  0.1556  0.5000  0.1254  1
  B  B8  2  0.1559  0.5000  0.8745  1
  B  B9  2  0.3182  0.0000  0.6245  1
  B  B10  2  0.3445  0.0000  0.1255  1
  B  B11  2  0.3446  0.0000  0.8743  1
  B  B12  2  0.3488  0.0000  0.3756  1
  C  C13  2  0.1623  0.5000  0.6245  1
]