# generated using pymatgen data_LiTiNF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72428200 _cell_length_b 10.43249200 _cell_length_c 12.43486700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiNF6 _chemical_formula_sum 'Li8 Ti8 N8 F48' _cell_volume 1002.04523137 _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 0.25268600 0.07532500 0.63921300 1.0 Li Li1 1 0.24731400 0.57532500 0.86078700 1.0 Li Li2 1 0.75268600 0.92467500 0.86078700 1.0 Li Li3 1 0.74731400 0.42467500 0.63921300 1.0 Li Li4 1 0.74731400 0.92467500 0.36078700 1.0 Li Li5 1 0.75268600 0.42467500 0.13921300 1.0 Li Li6 1 0.24731400 0.07532500 0.13921300 1.0 Li Li7 1 0.25268600 0.57532500 0.36078700 1.0 Ti Ti8 1 0.25031000 0.92559500 0.86339700 1.0 Ti Ti9 1 0.24969000 0.42559500 0.63660300 1.0 Ti Ti10 1 0.75031000 0.07440500 0.63660300 1.0 Ti Ti11 1 0.74969000 0.57440500 0.86339700 1.0 Ti Ti12 1 0.74969000 0.07440500 0.13660300 1.0 Ti Ti13 1 0.75031000 0.57440500 0.36339700 1.0 Ti Ti14 1 0.24969000 0.92559500 0.36339700 1.0 Ti Ti15 1 0.25031000 0.42559500 0.13660300 1.0 N N16 1 0.00000000 0.75000000 0.57746600 1.0 N N17 1 0.50000000 0.25000000 0.92253400 1.0 N N18 1 0.00000000 0.25000000 0.42253400 1.0 N N19 1 0.50000000 0.75000000 0.07746600 1.0 N N20 1 0.50000000 0.75000000 0.60500600 1.0 N N21 1 0.00000000 0.25000000 0.89499400 1.0 N N22 1 0.50000000 0.25000000 0.39499400 1.0 N N23 1 0.00000000 0.75000000 0.10500600 1.0 F F24 1 0.26968400 0.09805400 0.80434100 1.0 F F25 1 0.23031600 0.59805400 0.69565900 1.0 F F26 1 0.76968400 0.90194600 0.69565900 1.0 F F27 1 0.73031600 0.40194600 0.80434100 1.0 F F28 1 0.73031600 0.90194600 0.19565900 1.0 F F29 1 0.76968400 0.40194600 0.30434100 1.0 F F30 1 0.23031600 0.09805400 0.30434100 1.0 F F31 1 0.26968400 0.59805400 0.19565900 1.0 F F32 1 0.48995600 0.90428300 0.85006000 1.0 F F33 1 0.01004400 0.40428300 0.64994000 1.0 F F34 1 0.98995600 0.09571700 0.64994000 1.0 F F35 1 0.51004400 0.59571700 0.85006000 1.0 F F36 1 0.51004400 0.09571700 0.14994000 1.0 F F37 1 0.98995600 0.59571700 0.35006000 1.0 F F38 1 0.01004400 0.90428300 0.35006000 1.0 F F39 1 0.48995600 0.40428300 0.14994000 1.0 F F40 1 0.22702400 0.75649100 0.91006500 1.0 F F41 1 0.27297600 0.25649100 0.58993500 1.0 F F42 1 0.72702400 0.24350900 0.58993500 1.0 F F43 1 0.77297600 0.74350900 0.91006500 1.0 F F44 1 0.77297600 0.24350900 0.08993500 1.0 F F45 1 0.72702400 0.74350900 0.41006500 1.0 F F46 1 0.27297600 0.75649100 0.41006500 1.0 F F47 1 0.22702400 0.25649100 0.08993500 1.0 F F48 1 0.23009600 0.88182800 0.71251200 1.0 F F49 1 0.26990400 0.38182800 0.78748800 1.0 F F50 1 0.73009600 0.11817200 0.78748800 1.0 F F51 1 0.76990400 0.61817200 0.71251200 1.0 F F52 1 0.76990400 0.11817200 0.28748800 1.0 F F53 1 0.73009600 0.61817200 0.21251200 1.0 F F54 1 0.26990400 0.88182800 0.21251200 1.0 F F55 1 0.23009600 0.38182800 0.28748800 1.0 F F56 1 0.27768800 0.99318500 0.99926600 1.0 F F57 1 0.22231200 0.49318500 0.50073400 1.0 F F58 1 0.77768800 0.00681500 0.50073400 1.0 F F59 1 0.72231200 0.50681500 0.99926600 1.0 F F60 1 0.72231200 0.00681500 0.00073400 1.0 F F61 1 0.77768800 0.50681500 0.49926600 1.0 F F62 1 0.22231200 0.99318500 0.49926600 1.0 F F63 1 0.27768800 0.49318500 0.00073400 1.0 F F64 1 0.01038000 0.94819100 0.87004900 1.0 F F65 1 0.48962000 0.44819100 0.62995100 1.0 F F66 1 0.51038000 0.05180900 0.62995100 1.0 F F67 1 0.98962000 0.55180900 0.87004900 1.0 F F68 1 0.98962000 0.05180900 0.12995100 1.0 F F69 1 0.51038000 0.55180900 0.37004900 1.0 F F70 1 0.48962000 0.94819100 0.37004900 1.0 F F71 1 0.01038000 0.44819100 0.12995100 1.0