# generated using pymatgen data_Na4Ca4Be4AlSi7(O6F)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03632339 _cell_length_b 9.03632339 _cell_length_c 9.03632339 _cell_angle_alpha 107.92509760 _cell_angle_beta 107.92509760 _cell_angle_gamma 112.60979587 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4Ca4Be4AlSi7(O6F)4 _chemical_formula_sum 'Na4 Ca4 Be4 Al1 Si7 O24 F4' _cell_volume 566.72075418 _cell_formula_units_Z 1 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 0.66227200 0.50988500 0.67406900 1.0 Na Na1 1 0.83581600 0.98820200 0.32593100 1.0 Na Na2 1 0.49011500 0.16418400 0.15238600 1.0 Na Na3 1 0.01179800 0.33772800 0.84761400 1.0 Ca Ca4 1 0.33522500 0.49979400 0.34626000 1.0 Ca Ca5 1 0.15353400 0.98896500 0.65374000 1.0 Ca Ca6 1 0.50020600 0.84646600 0.83543100 1.0 Ca Ca7 1 0.01103500 0.66477500 0.16456900 1.0 Be Be8 1 0.72255200 0.86460300 0.64402500 1.0 Be Be9 1 0.22057800 0.07852700 0.35597500 1.0 Be Be10 1 0.13539700 0.77942200 0.85794900 1.0 Be Be11 1 0.92147300 0.27744800 0.14205100 1.0 Al Al12 1 0.50000000 0.50000000 0.00000000 1.0 Si Si13 1 0.49422700 0.99422700 0.50000000 1.0 Si Si14 1 0.00577300 0.50577300 0.50000000 1.0 Si Si15 1 0.72793400 0.58680000 0.36656700 1.0 Si Si16 1 0.22023200 0.36136600 0.63343300 1.0 Si Si17 1 0.41320000 0.77976800 0.14113400 1.0 Si Si18 1 0.63863400 0.27206600 0.85886600 1.0 Si Si19 1 0.00000000 0.00000000 0.00000000 1.0 O O20 1 0.38022800 0.53147000 0.64156300 1.0 O O21 1 0.88990700 0.73866500 0.35843700 1.0 O O22 1 0.46853000 0.11009300 0.84875800 1.0 O O23 1 0.26133500 0.61977200 0.15124200 1.0 O O24 1 0.53159100 0.44966000 0.17767200 1.0 O O25 1 0.27198800 0.35391900 0.82232800 1.0 O O26 1 0.55034000 0.72801200 0.08193100 1.0 O O27 1 0.64608100 0.46840900 0.91806900 1.0 O O28 1 0.52964000 0.86562600 0.58297700 1.0 O O29 1 0.28264900 0.94666300 0.41702300 1.0 O O30 1 0.13437400 0.71735100 0.66401400 1.0 O O31 1 0.05333700 0.47036000 0.33598600 1.0 O O32 1 0.78428500 0.87897300 0.84290000 1.0 O O33 1 0.03607300 0.94138500 0.15710000 1.0 O O34 1 0.12102700 0.96392700 0.90531200 1.0 O O35 1 0.05861500 0.21571500 0.09468800 1.0 O O36 1 0.66708900 0.66579100 0.50927500 1.0 O O37 1 0.15651600 0.15781400 0.49072500 1.0 O O38 1 0.33420900 0.84348400 0.00129800 1.0 O O39 1 0.84218600 0.33291100 0.99870200 1.0 O O40 1 0.78785900 0.44733000 0.41744200 1.0 O O41 1 0.02988800 0.37041700 0.58255800 1.0 O O42 1 0.55267000 0.97011200 0.34052900 1.0 O O43 1 0.62958300 0.21214100 0.65947100 1.0 F F44 1 0.37694100 0.23817200 0.35519000 1.0 F F45 1 0.88298300 0.02175200 0.64481000 1.0 F F46 1 0.76182800 0.11701700 0.13876900 1.0 F F47 1 0.97824800 0.62305900 0.86123100 1.0