# generated using pymatgen
data_Li3TiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44588300
_cell_length_b   9.75246456
_cell_length_c   9.75246508
_cell_angle_alpha   89.99999479
_cell_angle_beta   125.26438726
_cell_angle_gamma   54.73561061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiN2
_chemical_formula_sum   'Li24 Ti8 N16'
_cell_volume   463.78127257
_cell_formula_units_Z   8
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  0.21912200  0.04634900  0.99384000  1.0
  Li  Li1  1  0.78087800  0.76547000  0.50616000  1.0
  Li  Li2  1  0.78087800  0.45365100  0.77471900  1.0
  Li  Li3  1  0.21912200  0.73453000  0.72528100  1.0
  Li  Li4  1  0.23144000  0.77471900  0.27163000  1.0
  Li  Li5  1  0.76856000  0.72528100  0.04019000  1.0
  Li  Li6  1  0.23144000  0.99384000  0.45981000  1.0
  Li  Li7  1  0.76856000  0.50616000  0.22837000  1.0
  Li  Li8  1  0.68818000  0.04019000  0.73453000  1.0
  Li  Li9  1  0.68818000  0.27163000  0.45365100  1.0
  Li  Li10  1  0.31182000  0.22837000  0.76547000  1.0
  Li  Li11  1  0.31182000  0.45981000  0.04634900  1.0
  Li  Li12  1  0.78087800  0.95365100  0.00616000  1.0
  Li  Li13  1  0.21912200  0.23453000  0.49384000  1.0
  Li  Li14  1  0.21912200  0.54634900  0.22528100  1.0
  Li  Li15  1  0.78087800  0.26547000  0.27471900  1.0
  Li  Li16  1  0.76856000  0.22528100  0.72837000  1.0
  Li  Li17  1  0.23144000  0.27471900  0.95981000  1.0
  Li  Li18  1  0.76856000  0.00616000  0.54019000  1.0
  Li  Li19  1  0.23144000  0.49384000  0.77163000  1.0
  Li  Li20  1  0.31182000  0.95981000  0.26547000  1.0
  Li  Li21  1  0.31182000  0.72837000  0.54634900  1.0
  Li  Li22  1  0.68818000  0.77163000  0.23453000  1.0
  Li  Li23  1  0.68818000  0.54019000  0.95365100  1.0
  Ti  Ti24  1  0.23487500  0.00000000  0.73487500  1.0
  Ti  Ti25  1  0.76512500  0.73487500  0.76512500  1.0
  Ti  Ti26  1  0.76512500  0.50000000  0.50000000  1.0
  Ti  Ti27  1  0.23487500  0.76512500  0.00000000  1.0
  Ti  Ti28  1  0.76512500  0.00000000  0.26512500  1.0
  Ti  Ti29  1  0.23487500  0.26512500  0.23487500  1.0
  Ti  Ti30  1  0.23487500  0.50000000  0.50000000  1.0
  Ti  Ti31  1  0.76512500  0.23487500  0.00000000  1.0
  N  N32  1  0.00000000  0.00000000  0.50000000  1.0
  N  N33  1  0.00000000  0.50000000  0.00000000  1.0
  N  N34  1  0.00000000  0.50000000  0.50000000  1.0
  N  N35  1  0.00000000  0.00000000  0.00000000  1.0
  N  N36  1  0.50000000  0.97619400  0.75000000  1.0
  N  N37  1  0.50000000  0.52380600  0.25000000  1.0
  N  N38  1  0.00000000  0.25000000  0.72619400  1.0
  N  N39  1  0.00000000  0.75000000  0.77380600  1.0
  N  N40  1  0.54761100  0.72619400  0.52380600  1.0
  N  N41  1  0.45238900  0.77380600  0.97619400  1.0
  N  N42  1  0.50000000  0.02380600  0.25000000  1.0
  N  N43  1  0.50000000  0.47619400  0.75000000  1.0
  N  N44  1  0.00000000  0.75000000  0.27380600  1.0
  N  N45  1  0.00000000  0.25000000  0.22619400  1.0
  N  N46  1  0.45238900  0.27380600  0.47619400  1.0
  N  N47  1  0.54761100  0.22619400  0.02380600  1.0