data_[Na4Li16N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [4.0045]
_cell_length_b [15.2023]
_cell_length_c [6.5010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaLi4N]
_chemical_formula_sum '[Na4 Li16 N4]'
_cell_volume [395.7659]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0000  0.3898  0.2500  1
  Li  Li1  8  0.0000  0.1805  0.0620  1
  Li  Li2  4  0.0000  0.0000  0.0000  1
  Li  Li3  4  0.0000  0.4114  0.7500  1
  N  N4  4  0.0000  0.0766  0.2500  1
]