# generated using pymatgen data_Na2Ti2F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49832567 _cell_length_b 7.49832567 _cell_length_c 24.97667526 _cell_angle_alpha 81.25811321 _cell_angle_beta 81.25811321 _cell_angle_gamma 60.20277622 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Ti2F7 _chemical_formula_sum 'Na16 Ti16 F56' _cell_volume 1199.69404210 _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 Na Na0 1 0.00000000 0.00000000 0.50000000 1.0 Na Na1 1 0.00000000 0.00000000 0.00000000 1.0 Na Na2 1 0.50000000 0.50000000 0.50000000 1.0 Na Na3 1 0.50000000 0.50000000 0.00000000 1.0 Na Na4 1 0.50000000 0.00000000 0.00000000 1.0 Na Na5 1 0.00000000 0.50000000 0.50000000 1.0 Na Na6 1 0.20955600 0.79044400 0.75000000 1.0 Na Na7 1 0.79044400 0.20955600 0.25000000 1.0 Na Na8 1 0.71807700 0.78602900 0.75459000 1.0 Na Na9 1 0.28192300 0.21397100 0.24541000 1.0 Na Na10 1 0.21397100 0.28192300 0.74541000 1.0 Na Na11 1 0.78602900 0.71807700 0.25459000 1.0 Na Na12 1 0.11623800 0.13343400 0.62068400 1.0 Na Na13 1 0.88376200 0.86656600 0.37931600 1.0 Na Na14 1 0.86656600 0.88376200 0.87931600 1.0 Na Na15 1 0.13343400 0.11623800 0.12068400 1.0 Ti Ti16 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti17 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti18 1 0.74960800 0.25039200 0.75000000 1.0 Ti Ti19 1 0.25039200 0.74960800 0.25000000 1.0 Ti Ti20 1 0.11149700 0.63492400 0.62564200 1.0 Ti Ti21 1 0.88850300 0.36507600 0.37435800 1.0 Ti Ti22 1 0.36507600 0.88850300 0.87435800 1.0 Ti Ti23 1 0.63492400 0.11149700 0.12564200 1.0 Ti Ti24 1 0.61394900 0.61913900 0.62910800 1.0 Ti Ti25 1 0.38605100 0.38086100 0.37089200 1.0 Ti Ti26 1 0.38086100 0.38605100 0.87089200 1.0 Ti Ti27 1 0.61913900 0.61394900 0.12910800 1.0 Ti Ti28 1 0.61357700 0.14086000 0.62565300 1.0 Ti Ti29 1 0.38642300 0.85914000 0.37434700 1.0 Ti Ti30 1 0.85914000 0.38642300 0.87434700 1.0 Ti Ti31 1 0.14086000 0.61357700 0.12565300 1.0 F F32 1 0.57772200 0.73385000 0.54936200 1.0 F F33 1 0.42227800 0.26615000 0.45063800 1.0 F F34 1 0.26615000 0.42227800 0.95063800 1.0 F F35 1 0.73385000 0.57772200 0.04936200 1.0 F F36 1 0.63186800 0.54834600 0.71220300 1.0 F F37 1 0.36813200 0.45165400 0.28779700 1.0 F F38 1 0.45165400 0.36813200 0.78779700 1.0 F F39 1 0.54834600 0.63186800 0.21220300 1.0 F F40 1 0.30058400 0.74150900 0.64287500 1.0 F F41 1 0.69941600 0.25849100 0.35712500 1.0 F F42 1 0.25849100 0.69941600 0.85712500 1.0 F F43 1 0.74150900 0.30058400 0.14287500 1.0 F F44 1 0.92233800 0.52450700 0.61292300 1.0 F F45 1 0.07766200 0.47549300 0.38707700 1.0 F F46 1 0.47549300 0.07766200 0.88707700 1.0 F F47 1 0.52450700 0.92233800 0.11292300 1.0 F F48 1 0.57659000 0.15200700 0.54590300 1.0 F F49 1 0.42341000 0.84799300 0.45409700 1.0 F F50 1 0.84799300 0.42341000 0.95409700 1.0 F F51 1 0.15200700 0.57659000 0.04590300 1.0 F F52 1 0.63764500 0.12085500 0.70640500 1.0 F F53 1 0.36235500 0.87914500 0.29359500 1.0 F F54 1 0.87914500 0.36235500 0.79359500 1.0 F F55 1 0.12085500 0.63764500 0.20640500 1.0 F F56 1 0.92318100 0.94639500 0.60949500 1.0 F F57 1 0.07681900 0.05360500 0.39050500 1.0 F F58 1 0.05360500 0.07681900 0.89050500 1.0 F F59 1 0.94639500 0.92318100 0.10949500 1.0 F F60 1 0.30204800 0.32169300 0.64147000 1.0 F F61 1 0.69795200 0.67830700 0.35853000 1.0 F F62 1 0.67830700 0.69795200 0.85853000 1.0 F F63 1 0.32169300 0.30204800 0.14147000 1.0 F F64 1 0.56004100 0.89810600 0.64577300 1.0 F F65 1 0.43995900 0.10189400 0.35422700 1.0 F F66 1 0.10189400 0.43995900 0.85422700 1.0 F F67 1 0.89810600 0.56004100 0.14577300 1.0 F F68 1 0.70232100 0.35590900 0.59416400 1.0 F F69 1 0.29767900 0.64409100 0.40583600 1.0 F F70 1 0.64409100 0.29767900 0.90583600 1.0 F F71 1 0.35590900 0.70232100 0.09416400 1.0 F F72 1 0.19845300 0.13719300 0.52974500 1.0 F F73 1 0.80154700 0.86280700 0.47025500 1.0 F F74 1 0.86280700 0.80154700 0.97025500 1.0 F F75 1 0.13719300 0.19845300 0.02974500 1.0 F F76 1 0.86367100 0.96650700 0.79078200 1.0 F F77 1 0.13632900 0.03349300 0.20921800 1.0 F F78 1 0.03349300 0.13632900 0.70921800 1.0 F F79 1 0.96650700 0.86367100 0.29078200 1.0 F F80 1 0.04308900 0.63005400 0.70766600 1.0 F F81 1 0.95691100 0.36994600 0.29233400 1.0 F F82 1 0.36994600 0.95691100 0.79233400 1.0 F F83 1 0.63005400 0.04308900 0.20766600 1.0 F F84 1 0.17636500 0.63944000 0.54338800 1.0 F F85 1 0.82363500 0.36056000 0.45661200 1.0 F F86 1 0.36056000 0.82363500 0.95661200 1.0 F F87 1 0.63944000 0.17636500 0.04338800 1.0