# generated using pymatgen data_K2Mo2H12C4N(OF3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.43339558 _cell_length_b 12.43339558 _cell_length_c 6.47606200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.84525740 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Mo2H12C4N(OF3)3 _chemical_formula_sum 'K4 Mo4 H24 C8 N2 O6 F18' _cell_volume 885.21151604 _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 K K0 1 0.28227200 0.78227200 0.07045000 1.0 K K1 1 0.78227200 0.28227200 0.92955000 1.0 K K2 1 0.99781300 0.49781300 0.41585800 1.0 K K3 1 0.49781300 0.99781300 0.58414200 1.0 Mo Mo4 1 0.14810900 0.85500700 0.56494600 1.0 Mo Mo5 1 0.85500700 0.14810900 0.43505400 1.0 Mo Mo6 1 0.64810900 0.35500700 0.43505400 1.0 Mo Mo7 1 0.35500700 0.64810900 0.56494600 1.0 H H8 1 0.35028600 0.38213100 0.23220300 1.0 H H9 1 0.38213100 0.35028600 0.76779700 1.0 H H10 1 0.85028600 0.88213100 0.76779700 1.0 H H11 1 0.88213100 0.85028600 0.23220300 1.0 H H12 1 0.19142700 0.34183600 0.21421300 1.0 H H13 1 0.34183600 0.19142700 0.78578700 1.0 H H14 1 0.69142700 0.84183600 0.78578700 1.0 H H15 1 0.84183600 0.69142700 0.21421300 1.0 H H16 1 0.29395200 0.43720000 0.02246800 1.0 H H17 1 0.43720000 0.29395200 0.97753200 1.0 H H18 1 0.79395200 0.93720000 0.97753200 1.0 H H19 1 0.93720000 0.79395200 0.02246800 1.0 H H20 1 0.14281100 0.12457600 0.23453300 1.0 H H21 1 0.12457600 0.14281100 0.76546700 1.0 H H22 1 0.64281100 0.62457600 0.76546700 1.0 H H23 1 0.62457600 0.64281100 0.23453300 1.0 H H24 1 0.30209000 0.16405600 0.23536300 1.0 H H25 1 0.16405600 0.30209000 0.76463700 1.0 H H26 1 0.80209000 0.66405600 0.76463700 1.0 H H27 1 0.66405600 0.80209000 0.23536300 1.0 H H28 1 0.20469200 0.06415500 0.04227900 1.0 H H29 1 0.06415500 0.20469200 0.95772100 1.0 H H30 1 0.70469200 0.56415500 0.95772100 1.0 H H31 1 0.56415500 0.70469200 0.04227900 1.0 C C32 1 0.27391100 0.36084600 0.12702600 1.0 C C33 1 0.36084600 0.27391100 0.87297400 1.0 C C34 1 0.77391100 0.86084600 0.87297400 1.0 C C35 1 0.86084600 0.77391100 0.12702600 1.0 C C36 1 0.22232500 0.14304600 0.13897700 1.0 C C37 1 0.14304600 0.22232500 0.86102300 1.0 C C38 1 0.72232500 0.64304600 0.86102300 1.0 C C39 1 0.64304600 0.72232500 0.13897700 1.0 N N40 1 0.25018200 0.25018200 0.00000000 1.0 N N41 1 0.75018200 0.75018200 0.00000000 1.0 O O42 1 0.06506900 0.93269300 0.55384000 1.0 O O43 1 0.93269300 0.06506900 0.44616000 1.0 O O44 1 0.56506900 0.43269300 0.44616000 1.0 O O45 1 0.43269300 0.56506900 0.55384000 1.0 O O46 1 0.01269200 0.51269200 0.96876500 1.0 O O47 1 0.51269200 0.01269200 0.03123500 1.0 F F48 1 0.25857000 0.94585600 0.79787200 1.0 F F49 1 0.94585600 0.25857000 0.20212800 1.0 F F50 1 0.75857000 0.44585600 0.20212800 1.0 F F51 1 0.44585600 0.75857000 0.79787200 1.0 F F52 1 0.04419600 0.72575100 0.75809300 1.0 F F53 1 0.72575100 0.04419600 0.24190700 1.0 F F54 1 0.54419600 0.22575100 0.24190700 1.0 F F55 1 0.22575100 0.54419600 0.75809300 1.0 F F56 1 0.07602100 0.73935600 0.33170800 1.0 F F57 1 0.73935600 0.07602100 0.66829200 1.0 F F58 1 0.57602100 0.23935600 0.66829200 1.0 F F59 1 0.23935600 0.57602100 0.33170800 1.0 F F60 1 0.28412700 0.95329000 0.37427100 1.0 F F61 1 0.95329000 0.28412700 0.62572900 1.0 F F62 1 0.78412700 0.45329000 0.62572900 1.0 F F63 1 0.45329000 0.78412700 0.37427100 1.0 F F64 1 0.25845700 0.75845700 0.59233500 1.0 F F65 1 0.75845700 0.25845700 0.40766500 1.0