data_Li3H3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.46
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3H3N2
_chemical_formula_sum   'Li3 H3 N2'
_cell_volume   66.35
_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  0.58  0.73  0.91  1.0
  Li  Li1  1  0.48  0.0  0.51  1.0
  Li  Li2  1  0.22  0.73  0.64  1.0
  H  H3  1  0.13  0.52  0.48  1.0
  H  H4  1  0.06  0.0  0.89  1.0
  H  H5  1  0.13  0.94  0.48  1.0
  N  N6  1  0.38  0.73  0.04  1.0
  N  N7  1  0.7  0.0  0.71  1.0

data_Li3H3N2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.73
_cell_length_c   5.14
_cell_angle_alpha   91.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3H3N2
_chemical_formula_sum   'Li3 H3 N2'
_cell_volume   66.35
_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  0.0  0.52  0.49  1.0
  Li  Li1  1  0.27  0.42  0.09  1.0
  Li  Li2  1  0.27  0.78  0.36  1.0
  H  H3  1  0.0  0.94  0.11  1.0
  H  H4  1  0.06  0.87  0.52  1.0
  H  H5  1  0.48  0.87  0.52  1.0
  N  N6  1  0.0  0.3  0.29  1.0
  N  N7  1  0.27  0.62  0.96  1.0

Li Li Li H H H N N
Li Li Li H H H N N 0 6 o o + 0 7 o + o 1 5 o - o 1 2 o - o 1 7 o o o 2 3 o o o 2 5 o o o 2 4 o + o 3 5 o o o 4 7 - o o 4 6 o - + 