# generated using pymatgen data_AlFe3F15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.97322800 _cell_length_b 5.95012400 _cell_length_c 9.25661446 _cell_angle_alpha 74.80862771 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlFe3F15 _chemical_formula_sum 'Al2 Fe6 F30' _cell_volume 583.26389612 _cell_formula_units_Z 2 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 Al Al0 1 0.75000000 0.43829500 0.75875900 1.0 Al Al1 1 0.25000000 0.56170500 0.24124100 1.0 Fe Fe2 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe3 1 0.49793000 0.01329000 0.16502100 1.0 Fe Fe4 1 0.50207000 0.98671000 0.83497900 1.0 Fe Fe5 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe6 1 0.00207000 0.01329000 0.16502100 1.0 Fe Fe7 1 0.99793000 0.98671000 0.83497900 1.0 F F8 1 0.75000000 0.57953800 0.57577500 1.0 F F9 1 0.75000000 0.63921900 0.22203700 1.0 F F10 1 0.75000000 0.59643200 0.88442600 1.0 F F11 1 0.25000000 0.42046200 0.42422500 1.0 F F12 1 0.25000000 0.40356800 0.11557400 1.0 F F13 1 0.25000000 0.36078100 0.77796300 1.0 F F14 1 0.41366500 0.12851600 0.64654600 1.0 F F15 1 0.40166500 0.12154300 0.31768200 1.0 F F16 1 0.40946000 0.12635800 0.97292200 1.0 F F17 1 0.58633500 0.87148400 0.35345400 1.0 F F18 1 0.59054000 0.87364200 0.02707800 1.0 F F19 1 0.59833500 0.87845700 0.68231800 1.0 F F20 1 0.08991300 0.74738300 0.54713800 1.0 F F21 1 0.12199800 0.74417200 0.20923900 1.0 F F22 1 0.09009200 0.72824800 0.87698000 1.0 F F23 1 0.91008700 0.25261700 0.45286200 1.0 F F24 1 0.90990800 0.27175200 0.12302000 1.0 F F25 1 0.87800200 0.25582800 0.79076100 1.0 F F26 1 0.58991300 0.25261700 0.45286200 1.0 F F27 1 0.59009200 0.27175200 0.12302000 1.0 F F28 1 0.62199800 0.25582800 0.79076100 1.0 F F29 1 0.41008700 0.74738300 0.54713800 1.0 F F30 1 0.37800200 0.74417200 0.20923900 1.0 F F31 1 0.40990800 0.72824800 0.87698000 1.0 F F32 1 0.08633500 0.12851600 0.64654600 1.0 F F33 1 0.09833500 0.12154300 0.31768200 1.0 F F34 1 0.09054000 0.12635800 0.97292200 1.0 F F35 1 0.91366500 0.87148400 0.35345400 1.0 F F36 1 0.90946000 0.87364200 0.02707800 1.0 F F37 1 0.90166500 0.87845700 0.68231800 1.0