data_[Ba4Na2Li2N2]
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
  Li  0.9800  1.4500  0.9000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.4612]
_cell_length_b [8.7052]
_cell_length_c [6.5171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ba2NaLiN]
_chemical_formula_sum '[Ba4 Na2 Li2 N2]'
_cell_volume [366.5622]
_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  0.2500  0.1997  0.8076  1.0
  Na  Na1  2  0.2500  0.5000  0.3078  1.0
  Li  Li2  2  0.2500  0.0000  0.1853  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]