# generated using pymatgen data_Al2P2O11F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50604600 _cell_length_b 9.69339300 _cell_length_c 9.88608800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2P2O11F _chemical_formula_sum 'Al8 P8 O44 F4' _cell_volume 910.96188064 _cell_formula_units_Z 4 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 0.10087900 0.24311400 0.63787400 1.0 Al Al1 1 0.35354400 0.96407600 0.67674800 1.0 Al Al2 1 0.85354400 0.53592400 0.32325200 1.0 Al Al3 1 0.39912100 0.75688600 0.13787400 1.0 Al Al4 1 0.64645600 0.46407600 0.82325200 1.0 Al Al5 1 0.89912100 0.74311400 0.86212600 1.0 Al Al6 1 0.14645600 0.03592400 0.17674800 1.0 Al Al7 1 0.60087900 0.25688600 0.36212600 1.0 P P8 1 0.42104100 0.98245200 0.36050800 1.0 P P9 1 0.07740700 0.70868600 0.14107500 1.0 P P10 1 0.07895900 0.01754800 0.86050800 1.0 P P11 1 0.42259300 0.29131400 0.64107500 1.0 P P12 1 0.92104100 0.51754800 0.63949200 1.0 P P13 1 0.57895900 0.48245200 0.13949200 1.0 P P14 1 0.92259300 0.20868600 0.35892500 1.0 P P15 1 0.57740700 0.79131400 0.85892500 1.0 O O16 1 0.51697900 0.09516700 0.30316300 1.0 O O17 1 0.02620700 0.83646100 0.49252800 1.0 O O18 1 0.19628300 0.06949800 0.59878700 1.0 O O19 1 0.73517600 0.52105800 0.16390600 1.0 O O20 1 0.47379300 0.16353900 0.99252800 1.0 O O21 1 0.50945000 0.78073200 0.99586700 1.0 O O22 1 0.49055000 0.28073200 0.50413300 1.0 O O23 1 0.52620700 0.66353900 0.50747200 1.0 O O24 1 0.97379300 0.33646100 0.00747200 1.0 O O25 1 0.57291300 0.64801500 0.78349500 1.0 O O26 1 0.76019700 0.91331300 0.18611900 1.0 O O27 1 0.26482400 0.02105800 0.33609400 1.0 O O28 1 0.80371700 0.56949800 0.90121300 1.0 O O29 1 0.69628300 0.43050200 0.40121300 1.0 O O30 1 0.94835200 0.53304800 0.48491100 1.0 O O31 1 0.00600500 0.59689800 0.22477300 1.0 O O32 1 0.99055000 0.21926800 0.49586700 1.0 O O33 1 0.73980300 0.08668700 0.68611900 1.0 O O34 1 0.44835200 0.96695200 0.51508900 1.0 O O35 1 0.45436700 0.84376000 0.28959800 1.0 O O36 1 0.99399500 0.09689800 0.27522700 1.0 O O37 1 0.98302100 0.90483300 0.80316300 1.0 O O38 1 0.00945000 0.71926800 0.00413300 1.0 O O39 1 0.30371700 0.93050200 0.09878700 1.0 O O40 1 0.05164800 0.03304800 0.01508900 1.0 O O41 1 0.07291300 0.85198500 0.21650500 1.0 O O42 1 0.55164800 0.46695200 0.98491100 1.0 O O43 1 0.26610600 0.33061600 0.62075100 1.0 O O44 1 0.95436700 0.65624000 0.71040200 1.0 O O45 1 0.23389400 0.66938400 0.12075100 1.0 O O46 1 0.26019700 0.58668700 0.81388100 1.0 O O47 1 0.49399500 0.40310200 0.72477300 1.0 O O48 1 0.01697900 0.40483300 0.69683700 1.0 O O49 1 0.50600500 0.90310200 0.77522700 1.0 O O50 1 0.42708700 0.14801500 0.71650500 1.0 O O51 1 0.76610600 0.16938400 0.37924900 1.0 O O52 1 0.76482400 0.47894200 0.66390600 1.0 O O53 1 0.73389400 0.83061600 0.87924900 1.0 O O54 1 0.04563300 0.15624000 0.78959800 1.0 O O55 1 0.54563300 0.34376000 0.21040200 1.0 O O56 1 0.23517600 0.97894200 0.83609400 1.0 O O57 1 0.48302100 0.59516700 0.19683700 1.0 O O58 1 0.92708700 0.35198500 0.28349500 1.0 O O59 1 0.23980300 0.41331300 0.31388100 1.0 F F60 1 0.27879100 0.80150900 0.63811900 1.0 F F61 1 0.77879100 0.69849100 0.36188100 1.0 F F62 1 0.22120900 0.19849100 0.13811900 1.0 F F63 1 0.72120900 0.30150900 0.86188100 1.0