# generated using pymatgen
data_Li3TiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44588292
_cell_length_b   9.75246480
_cell_length_c   9.75246520
_cell_angle_alpha   89.99999524
_cell_angle_beta   125.26438640
_cell_angle_gamma   54.73561197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiN2
_chemical_formula_sum   'Li24 Ti8 N16'
_cell_volume   463.78131430
_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  0.21912185  0.04634936  0.99384024  1
  Li  Li1  1  0.78087815  0.76547020  0.50615976  1
  Li  Li2  1  0.78087815  0.45365064  0.77471939  1
  Li  Li3  1  0.21912185  0.73452980  0.72528061  1
  Li  Li4  1  0.23144036  0.77471939  0.27162996  1
  Li  Li5  1  0.76855964  0.72528061  0.04018960  1
  Li  Li6  1  0.23144036  0.99384024  0.45981040  1
  Li  Li7  1  0.76855964  0.50615976  0.22837004  1
  Li  Li8  1  0.68818044  0.04018960  0.73452980  1
  Li  Li9  1  0.68818044  0.27162996  0.45365064  1
  Li  Li10  1  0.31181956  0.22837004  0.76547020  1
  Li  Li11  1  0.31181956  0.45981040  0.04634936  1
  Li  Li12  1  0.78087815  0.95365064  0.00615976  1
  Li  Li13  1  0.21912185  0.23452980  0.49384024  1
  Li  Li14  1  0.21912185  0.54634936  0.22528061  1
  Li  Li15  1  0.78087815  0.26547020  0.27471939  1
  Li  Li16  1  0.76855964  0.22528061  0.72837004  1
  Li  Li17  1  0.23144036  0.27471939  0.95981040  1
  Li  Li18  1  0.76855964  0.00615976  0.54018960  1
  Li  Li19  1  0.23144036  0.49384024  0.77162996  1
  Li  Li20  1  0.31181956  0.95981040  0.26547020  1
  Li  Li21  1  0.31181956  0.72837004  0.54634936  1
  Li  Li22  1  0.68818044  0.77162996  0.23452980  1
  Li  Li23  1  0.68818044  0.54018960  0.95365064  1
  Ti  Ti24  1  0.23487528  -0.00000000  0.73487528  1
  Ti  Ti25  1  0.76512472  0.73487528  0.76512472  1
  Ti  Ti26  1  0.76512472  0.50000000  0.50000000  1
  Ti  Ti27  1  0.23487528  0.76512472  -0.00000000  1
  Ti  Ti28  1  0.76512472  0.00000000  0.26512472  1
  Ti  Ti29  1  0.23487528  0.26512472  0.23487528  1
  Ti  Ti30  1  0.23487528  0.50000000  0.50000000  1
  Ti  Ti31  1  0.76512472  0.23487528  0.00000000  1
  N  N32  1  -0.00000000  0.00000000  0.50000000  1
  N  N33  1  -0.00000000  0.50000000  -0.00000000  1
  N  N34  1  -0.00000000  0.50000000  0.50000000  1
  N  N35  1  -0.00000000  0.00000000  -0.00000000  1
  N  N36  1  0.50000000  0.97619448  0.75000000  1
  N  N37  1  0.50000000  0.52380552  0.25000000  1
  N  N38  1  0.00000000  0.25000000  0.72619448  1
  N  N39  1  -0.00000000  0.75000000  0.77380552  1
  N  N40  1  0.54761105  0.72619448  0.52380552  1
  N  N41  1  0.45238895  0.77380552  0.97619448  1
  N  N42  1  0.50000000  0.02380552  0.25000000  1
  N  N43  1  0.50000000  0.47619448  0.75000000  1
  N  N44  1  -0.00000000  0.75000000  0.27380552  1
  N  N45  1  0.00000000  0.25000000  0.22619448  1
  N  N46  1  0.45238895  0.27380552  0.47619448  1
  N  N47  1  0.54761105  0.22619448  0.02380552  1
