data_[Na5Li1N2]
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 [Pm]
_cell_length_a [4.3527]
_cell_length_b [4.4188]
_cell_length_c [7.7068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na5LiN2]
_chemical_formula_sum '[Na5 Li1 N2]'
_cell_volume [148.2278]
_cell_formula_units_Z [1]
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  1  0.3653  0.0000  0.8999  1
  Na  Na1  1  0.4453  0.5000  0.3544  1
  Na  Na2  1  0.5371  0.0000  0.5595  1
  Na  Na3  1  0.6605  0.5000  0.0277  1
  Na  Na4  1  0.9853  0.5000  0.6715  1
  Li  Li5  1  0.0049  0.0000  0.2301  1
  N  N6  1  0.4838  0.5000  0.7223  1
  N  N7  1  0.5209  0.0000  0.2176  1
]