# generated using pymatgen data_Li3AlF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15539302 _cell_length_b 8.15539298 _cell_length_c 9.73804542 _cell_angle_alpha 85.66482015 _cell_angle_beta 85.66482098 _cell_angle_gamma 61.51340637 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3AlF6 _chemical_formula_sum 'Li18 Al6 F36' _cell_volume 567.05936497 _cell_formula_units_Z 6 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 0.18669970 0.81330030 0.75000000 1.0 Li Li1 1 0.81330030 0.18669970 0.25000000 1.0 Li Li2 1 0.65667785 0.93853387 0.43236717 1.0 Li Li3 1 0.06146613 0.34332215 0.06763283 1.0 Li Li4 1 0.34332215 0.06146613 0.56763283 1.0 Li Li5 1 0.93853387 0.65667785 0.93236717 1.0 Li Li6 1 0.54080410 0.12384855 0.05186779 1.0 Li Li7 1 0.87615145 0.45919590 0.44813221 1.0 Li Li8 1 0.45919590 0.87615145 0.94813221 1.0 Li Li9 1 0.12384855 0.54080410 0.55186779 1.0 Li Li10 1 0.37063519 0.67323327 0.46299152 1.0 Li Li11 1 0.32676673 0.62936481 0.03700848 1.0 Li Li12 1 0.62936481 0.32676673 0.53700848 1.0 Li Li13 1 0.67323327 0.37063519 0.96299152 1.0 Li Li14 1 0.99337399 0.29017630 0.73155078 1.0 Li Li15 1 0.70982370 0.00662601 0.76844922 1.0 Li Li16 1 0.00662601 0.70982370 0.26844922 1.0 Li Li17 1 0.29017630 0.99337399 0.23155078 1.0 Al Al18 1 -0.00000000 0.00000000 -0.00000000 1.0 Al Al19 1 0.33505598 0.34052876 0.79554342 1.0 Al Al20 1 0.65947124 0.66494402 0.70445658 1.0 Al Al21 1 0.66494402 0.65947124 0.20445658 1.0 Al Al22 1 0.34052876 0.33505598 0.29554342 1.0 Al Al23 1 -0.00000000 0.00000000 0.50000000 1.0 F F24 1 0.56268038 0.24871958 0.20125325 1.0 F F25 1 0.06698213 0.07456918 0.33827125 1.0 F F26 1 0.92543082 0.93301787 0.16172875 1.0 F F27 1 0.93301787 0.92543082 0.66172875 1.0 F F28 1 0.07456918 0.06698213 0.83827125 1.0 F F29 1 0.11308778 0.41535508 0.89123690 1.0 F F30 1 0.43731962 0.75128042 0.79874675 1.0 F F31 1 0.24871958 0.56268038 0.70125325 1.0 F F32 1 0.23148309 0.91190031 0.56320971 1.0 F F33 1 0.75128042 0.43731962 0.29874675 1.0 F F34 1 0.57460017 0.88676784 0.11420408 1.0 F F35 1 0.11323216 0.42539983 0.38579592 1.0 F F36 1 0.42539983 0.11323216 0.88579692 1.0 F F37 1 0.88676784 0.57460017 0.61420308 1.0 F F38 1 0.44790845 0.75354506 0.30375990 1.0 F F39 1 0.24645494 0.55209155 0.19624010 1.0 F F40 1 0.55209155 0.24645494 0.69624010 1.0 F F41 1 0.75354506 0.44790845 0.80375990 1.0 F F42 1 0.27084027 0.23159689 0.16550399 1.0 F F43 1 0.76840311 0.72915973 0.33449601 1.0 F F44 1 0.72915973 0.76840311 0.83449601 1.0 F F45 1 0.88691222 0.58464492 0.10876310 1.0 F F46 1 0.23244115 0.91989856 0.06203571 1.0 F F47 1 0.08010144 0.76755885 0.43796429 1.0 F F48 1 0.76755885 0.08010144 0.93796429 1.0 F F49 1 0.91989856 0.23244115 0.56203571 1.0 F F50 1 0.08809969 0.76851691 0.93679029 1.0 F F51 1 0.23159689 0.27084027 0.66550399 1.0 F F52 1 0.91190031 0.23148309 0.06320971 1.0 F F53 1 0.76851691 0.08809969 0.43679029 1.0 F F54 1 0.41129567 0.42642352 0.43001460 1.0 F F55 1 0.57357648 0.58870433 0.06998540 1.0 F F56 1 0.58870433 0.57357648 0.56998540 1.0 F F57 1 0.42642352 0.41129567 0.93001460 1.0 F F58 1 0.41535508 0.11308778 0.39123690 1.0 F F59 1 0.58464492 0.88691222 0.60876310 1.0