data_[Ba4Na2Ni2N4]
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
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.6080]
_cell_length_b [8.2971]
_cell_length_c [4.8041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Ba2NaNiN2]
_chemical_formula_sum '[Ba4 Na2 Ni2 N4]'
_cell_volume [263.3963]
_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  0.1045  0.2498  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.0000  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  N  N3  4  0.2465  0.0913  0.0000  1
]