# generated using pymatgen
data_LiTi2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04675013
_cell_length_b   6.24128628
_cell_length_c   4.14291439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.07008582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2N3
_chemical_formula_sum   'Li2 Ti4 N6'
_cell_volume   133.92080046
_cell_formula_units_Z   2
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  0.00000000  0.64730419  0.43254480  1
  Li  Li1  1  -0.00000000  0.35269581  0.93254480  1
  Ti  Ti2  1  0.32352066  0.33229673  0.43104882  1
  Ti  Ti3  1  0.67647934  0.00877507  0.43104882  1
  Ti  Ti4  1  0.67647934  0.66770327  0.93104882  1
  Ti  Ti5  1  0.32352066  0.99122493  0.93104882  1
  N  N6  1  0.36332934  0.32989552  0.93105075  1
  N  N7  1  0.63667066  0.96656518  0.93105075  1
  N  N8  1  0.63667066  0.67010448  0.43105075  1
  N  N9  1  0.36332934  0.03343482  0.43105075  1
  N  N10  1  0.00000000  0.69728535  0.93125605  1
  N  N11  1  -0.00000000  0.30271465  0.43125605  1
