data_[Ba8Na6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9973]
_cell_length_b [8.4365]
_cell_length_c [11.7087]
_cell_angle_alpha [110.7287]
_cell_angle_beta [97.2566]
_cell_angle_gamma [92.1646]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba4Na3N2]
_chemical_formula_sum '[Ba8 Na6 N4]'
_cell_volume [638.7323]
_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
[
  Ba  Ba0  2  0.0460  0.0563  0.3591  1
  Ba  Ba1  2  0.0485  0.5640  0.3652  1
  Ba  Ba2  2  0.4510  0.1912  0.6336  1
  Ba  Ba3  2  0.4554  0.6882  0.6425  1
  Na  Na4  2  0.0849  0.8218  0.9737  1
  Na  Na5  2  0.2545  0.5040  0.0167  1
  Na  Na6  2  0.4037  0.1436  0.9629  1
  N  N7  2  0.2473  0.8765  0.5005  1
  N  N8  2  0.2521  0.3755  0.4989  1
]