data_[Na4B7C1]
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 [Pmm2]
_cell_length_a [2.8162]
_cell_length_b [8.6974]
_cell_length_c [5.3925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Na4B7C]
_chemical_formula_sum '[Na4 B7 C1]'
_cell_volume [132.0818]
_cell_formula_units_Z [1]
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  0.2517  0.0014  1
  Na  Na1  2  0.5000  0.2501  0.4997  1
  B  B2  1  0.0000  0.0000  0.3170  1
  B  B3  1  0.0000  0.0000  0.6515  1
  B  B4  1  0.0000  0.5000  0.3441  1
  B  B5  1  0.0000  0.5000  0.6563  1
  B  B6  1  0.5000  0.0000  0.8666  1
  B  B7  1  0.5000  0.5000  0.1556  1
  B  B8  1  0.5000  0.5000  0.8448  1
  C  C9  1  0.5000  0.0000  0.1618  1
]