data_NaLi5N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.65
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   99.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi5N2
_chemical_formula_sum   'Na1 Li5 N2'
_cell_volume   102.17
_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  1.0  0.82  0.91  1.0
  Li  Li1  1  0.11  0.0  0.54  1.0
  Li  Li2  1  0.22  0.82  0.49  1.0
  Li  Li3  1  0.25  0.82  0.36  1.0
  Li  Li4  1  0.09  0.0  0.62  1.0
  Li  Li5  1  0.31  0.0  0.73  1.0
  N  N6  1  0.16  0.82  0.79  1.0
  N  N7  1  0.18  0.0  0.6  1.0

data_NaLi5N2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.86
_cell_length_c   7.34
_cell_angle_alpha   99.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi5N2
_chemical_formula_sum   'Na1 Li5 N2'
_cell_volume   102.17
_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  0.18  0.0  0.09  1.0
  Li  Li1  1  0.0  0.69  0.27  1.0
  Li  Li2  1  0.0  0.89  0.46  1.0
  Li  Li3  1  0.0  0.91  0.38  1.0
  Li  Li4  1  0.18  0.75  0.64  1.0
  Li  Li5  1  0.18  0.78  0.51  1.0
  N  N6  1  0.0  0.82  0.4  1.0
  N  N7  1  0.18  0.84  0.21  1.0

Na Li Li Li Li Li N N