# generated using pymatgen data_AlNF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.29969177 _cell_length_b 10.29969177 _cell_length_c 10.29969177 _cell_angle_alpha 111.61282635 _cell_angle_beta 111.61282635 _cell_angle_gamma 105.26801968 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlNF4 _chemical_formula_sum 'Al10 N10 F40' _cell_volume 837.74378529 _cell_formula_units_Z 10 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 0.50000000 0.00000000 0.50000000 1.0 Al Al1 1 0.00000000 0.50000000 0.50000000 1.0 Al Al2 1 0.20868100 0.07616800 0.28484900 1.0 Al Al3 1 0.79131900 0.92383200 0.71515100 1.0 Al Al4 1 0.70868100 0.42383200 0.13251300 1.0 Al Al5 1 0.29131900 0.57616800 0.86748700 1.0 Al Al6 1 0.92383200 0.20868100 0.13251300 1.0 Al Al7 1 0.07616800 0.79131900 0.86748700 1.0 Al Al8 1 0.57616800 0.70868100 0.28484900 1.0 Al Al9 1 0.42383200 0.29131900 0.71515100 1.0 N N10 1 0.02941000 0.52941000 0.17822100 1.0 N N11 1 0.35118900 0.85118900 0.82177900 1.0 N N12 1 0.52941000 0.35118900 0.50000000 1.0 N N13 1 0.85118900 0.02941000 0.50000000 1.0 N N14 1 0.97059000 0.47059000 0.82177900 1.0 N N15 1 0.64881100 0.14881100 0.17822100 1.0 N N16 1 0.47059000 0.64881100 0.50000000 1.0 N N17 1 0.14881100 0.97059000 0.50000000 1.0 N N18 1 0.75000000 0.75000000 0.00000000 1.0 N N19 1 0.25000000 0.25000000 0.00000000 1.0 F F20 1 0.34046600 0.99978500 0.34025100 1.0 F F21 1 0.65953400 0.00021500 0.65974900 1.0 F F22 1 0.84046600 0.50021500 0.34068000 1.0 F F23 1 0.15953400 0.49978500 0.65932000 1.0 F F24 1 0.00021500 0.34046600 0.34068000 1.0 F F25 1 0.99978500 0.65953400 0.65932000 1.0 F F26 1 0.49978500 0.84046600 0.34025100 1.0 F F27 1 0.50021500 0.15953400 0.65974900 1.0 F F28 1 0.36066200 0.86066200 0.50000000 1.0 F F29 1 0.86066200 0.36066200 0.50000000 1.0 F F30 1 0.63933800 0.13933800 0.50000000 1.0 F F31 1 0.13933800 0.63933800 0.50000000 1.0 F F32 1 0.13861200 0.93399900 0.07261100 1.0 F F33 1 0.86138800 0.06600100 0.92738900 1.0 F F34 1 0.63861200 0.56600100 0.20461300 1.0 F F35 1 0.36138800 0.43399900 0.79538700 1.0 F F36 1 0.06600100 0.13861200 0.20461300 1.0 F F37 1 0.93399900 0.86138800 0.79538700 1.0 F F38 1 0.43399900 0.63861200 0.07261100 1.0 F F39 1 0.56600100 0.36138800 0.92738900 1.0 F F40 1 0.28013100 0.21986900 0.50000000 1.0 F F41 1 0.71986900 0.78013100 0.50000000 1.0 F F42 1 0.78013100 0.28013100 0.06026100 1.0 F F43 1 0.21986900 0.71986900 0.93973900 1.0 F F44 1 0.06633800 0.93488500 0.30165000 1.0 F F45 1 0.63323500 0.76468900 0.69835000 1.0 F F46 1 0.56633800 0.26468900 0.13145400 1.0 F F47 1 0.13323500 0.43488500 0.86854600 1.0 F F48 1 0.76468900 0.06633800 0.13145400 1.0 F F49 1 0.93488500 0.63323500 0.86854600 1.0 F F50 1 0.43488500 0.56633800 0.30165000 1.0 F F51 1 0.26468900 0.13323500 0.69835000 1.0 F F52 1 0.93366200 0.06511500 0.69835000 1.0 F F53 1 0.36676500 0.23531100 0.30165000 1.0 F F54 1 0.43366200 0.73531100 0.86854600 1.0 F F55 1 0.86676500 0.56511500 0.13145400 1.0 F F56 1 0.23531100 0.93366200 0.86854600 1.0 F F57 1 0.06511500 0.36676500 0.13145400 1.0 F F58 1 0.56511500 0.43366200 0.69835000 1.0 F F59 1 0.73531100 0.86676500 0.30165000 1.0