data_[Li3Al2N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.8744]
_cell_length_b [3.1643]
_cell_length_c [19.4493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li3Al2N3]
_chemical_formula_sum '[Li3 Al2 N3]'
_cell_volume [299.9843]
_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
[
  Li  Li0  1  0.3411  0.0000  0.4847  1
  Li  Li1  1  0.5160  0.5000  0.3686  1
  Li  Li2  1  0.9301  0.0000  0.5732  1
  Al  Al3  1  0.3986  0.5000  0.5839  1
  Al  Al4  1  0.8455  0.5000  0.4570  1
  N  N5  1  0.1175  0.5000  0.5184  1
  N  N6  1  0.5484  0.0000  0.5973  1
  N  N7  1  0.6940  0.0000  0.4169  1
]