# generated using pymatgen
data_LiTiNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37471500
_cell_length_b   4.11108000
_cell_length_c   8.12501500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiNCl
_chemical_formula_sum   'Li2 Ti2 N2 Cl2'
_cell_volume   112.72421026
_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  0.50000000  0.50000000  0.66485800  1
  Li  Li1  1  0.00000000  0.00000000  0.33514200  1
  Ti  Ti2  1  0.50000000  0.00000000  0.94829300  1
  Ti  Ti3  1  0.00000000  0.50000000  0.05170700  1
  N  N4  1  0.50000000  0.50000000  0.91784100  1
  N  N5  1  0.00000000  0.00000000  0.08215900  1
  Cl  Cl6  1  0.00000000  0.00000000  0.65417600  1
  Cl  Cl7  1  0.50000000  0.50000000  0.34582400  1
