data_[Ba8Na6N2]
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 [Imm2]
_cell_length_a [8.3404]
_cell_length_b [13.3666]
_cell_length_c [7.2882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ba4Na3N]
_chemical_formula_sum '[Ba8 Na6 N2]'
_cell_volume [812.5169]
_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  4  0.0000  0.3434  0.1955  1.0
  Ba  Ba1  4  0.2387  0.5000  0.7945  1.0
  Na  Na2  4  0.0000  0.2315  0.6801  1.0
  Na  Na3  2  0.0000  0.0000  0.8098  1.0
  N  N4  2  0.0000  0.5000  0.0009  1.0
]