data_[Li32N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8422]
_cell_length_b [3.8422]
_cell_length_c [43.0469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li4N]
_chemical_formula_sum '[Li32 N8]'
_cell_volume [635.4722]
_cell_formula_units_Z [8]
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
[
  Li  Li0  4  0.0000  0.5000  0.0449  1
  Li  Li1  4  0.0000  0.5000  0.1347  1
  Li  Li2  4  0.0000  0.5000  0.2245  1
  Li  Li3  4  0.0000  0.5000  0.3148  1
  Li  Li4  2  0.0000  0.0000  0.0898  1
  Li  Li5  2  0.0000  0.0000  0.1796  1
  Li  Li6  2  0.0000  0.0000  0.2693  1
  Li  Li7  2  0.0000  0.0000  0.3589  1
  Li  Li8  2  0.0000  0.0000  0.4298  1
  Li  Li9  2  0.5000  0.5000  0.3963  1
  Li  Li10  2  0.5000  0.5000  0.4656  1
  Li  Li11  1  0.0000  0.0000  0.0000  1
  Li  Li12  1  0.0000  0.0000  0.5000  1
  N  N13  2  0.0000  0.0000  0.0449  1
  N  N14  2  0.0000  0.0000  0.1347  1
  N  N15  2  0.0000  0.0000  0.2245  1
  N  N16  2  0.0000  0.0000  0.3145  1
]