data_[Na16Sb16N32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [5.6833]
_cell_length_b [11.4626]
_cell_length_c [15.7687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [NaSbN2]
_chemical_formula_sum '[Na16 Sb16 N32]'
_cell_volume [1027.2521]
_cell_formula_units_Z [16]
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  8  0.2251  0.5001  0.4431  1
  Na  Na1  8  0.2290  0.7209  0.8126  1
  Sb  Sb2  8  0.2156  0.5168  0.1888  1
  Sb  Sb3  8  0.2390  0.7320  0.5651  1
  N  N4  8  0.0186  0.1662  0.0091  1
  N  N5  8  0.0584  0.0245  0.7994  1
  N  N6  8  0.0868  0.0864  0.5965  1
  N  N7  8  0.1153  0.6836  0.1683  1
]