data_[Ba2Na2N2]
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 [P2_1/m]
_cell_length_a [6.5716]
_cell_length_b [4.0007]
_cell_length_c [7.2271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNaN]
_chemical_formula_sum '[Ba2 Na2 N2]'
_cell_volume [169.7424]
_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  0.3128  0.7500  0.7595  1
  Na  Na1  2  0.1503  0.7500  0.1272  1
  N  N2  2  0.2598  0.2500  0.9671  1
]