# generated using pymatgen data_K9(Mo6S7)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.57223691 _cell_length_b 10.57223691 _cell_length_c 24.16006400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000569 _symmetry_Int_Tables_number 1 _chemical_formula_structural K9(Mo6S7)8 _chemical_formula_sum 'K9 Mo48 S56' _cell_volume 2338.63508149 _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 K K0 1 0.00000000 0.00000000 0.59251500 1.0 K K1 1 0.33333300 0.66666700 0.90293200 1.0 K K2 1 0.33333300 0.66666700 0.36214400 1.0 K K3 1 0.00000000 0.00000000 0.79562300 1.0 K K4 1 0.00000000 0.00000000 0.00000000 1.0 K K5 1 0.00000000 0.00000000 0.20437700 1.0 K K6 1 0.00000000 0.00000000 0.40748500 1.0 K K7 1 0.66666700 0.33333300 0.09706800 1.0 K K8 1 0.66666700 0.33333300 0.63785600 1.0 Mo Mo9 1 0.20711800 0.72253400 0.07892600 1.0 Mo Mo10 1 0.19674000 0.69241500 0.57161200 1.0 Mo Mo11 1 0.00011100 0.48978600 0.28608300 1.0 Mo Mo12 1 0.13764700 0.70982600 0.79427300 1.0 Mo Mo13 1 0.99263400 0.54150800 0.94183900 1.0 Mo Mo14 1 0.07190700 0.45857400 0.47801400 1.0 Mo Mo15 1 0.37321800 0.85835800 0.17245800 1.0 Mo Mo16 1 0.25664000 0.76231500 0.68144100 1.0 Mo Mo17 1 0.14164200 0.51486000 0.17245800 1.0 Mo Mo18 1 0.23768500 0.49432400 0.68144100 1.0 Mo Mo19 1 0.54887500 0.00736600 0.94183900 1.0 Mo Mo20 1 0.38666700 0.92809300 0.47801400 1.0 Mo Mo21 1 0.48967400 0.99988900 0.28608300 1.0 Mo Mo22 1 0.57217900 0.86235300 0.79427300 1.0 Mo Mo23 1 0.27746600 0.48458300 0.07892600 1.0 Mo Mo24 1 0.30758500 0.50432500 0.57161200 1.0 Mo Mo25 1 0.51541700 0.79288200 0.07892600 1.0 Mo Mo26 1 0.49567500 0.80326000 0.57161200 1.0 Mo Mo27 1 0.51021400 0.51032600 0.28608300 1.0 Mo Mo28 1 0.29017400 0.42782100 0.79427300 1.0 Mo Mo29 1 0.45849200 0.45112500 0.94183900 1.0 Mo Mo30 1 0.54142600 0.61333300 0.47801400 1.0 Mo Mo31 1 0.48514000 0.62678200 0.17245800 1.0 Mo Mo32 1 0.50567600 0.74336000 0.68144100 1.0 Mo Mo33 1 0.51486000 0.37321800 0.82754200 1.0 Mo Mo34 1 0.49432400 0.25664000 0.31855900 1.0 Mo Mo35 1 0.54150800 0.54887500 0.05816100 1.0 Mo Mo36 1 0.45857400 0.38666700 0.52198600 1.0 Mo Mo37 1 0.48978600 0.48967400 0.71391700 1.0 Mo Mo38 1 0.70982600 0.57217900 0.20572700 1.0 Mo Mo39 1 0.48458300 0.20711800 0.92107400 1.0 Mo Mo40 1 0.50432500 0.19674000 0.42838800 1.0 Mo Mo41 1 0.72253400 0.51541700 0.92107400 1.0 Mo Mo42 1 0.69241500 0.49567500 0.42838800 1.0 Mo Mo43 1 0.51032600 0.00011100 0.71391700 1.0 Mo Mo44 1 0.42782100 0.13764700 0.20572700 1.0 Mo Mo45 1 0.45112500 0.99263400 0.05816100 1.0 Mo Mo46 1 0.61333300 0.07190700 0.52198600 1.0 Mo Mo47 1 0.85835800 0.48514000 0.82754200 1.0 Mo Mo48 1 0.76231500 0.50567600 0.31855900 1.0 Mo Mo49 1 0.62678200 0.14164200 0.82754200 1.0 Mo Mo50 1 0.74336000 0.23768500 0.31855900 1.0 Mo Mo51 1 0.00736600 0.45849200 0.05816100 1.0 Mo Mo52 1 0.92809300 0.54142600 0.52198600 1.0 Mo Mo53 1 0.99988900 0.51021400 0.71391700 1.0 Mo Mo54 1 0.86235300 0.29017400 0.20572700 1.0 Mo Mo55 1 0.79288200 0.27746600 0.92107400 1.0 Mo Mo56 1 0.80326000 0.30758500 0.42838800 1.0 S S57 1 0.92486200 0.51252500 0.15025800 1.0 S S58 1 0.01076700 0.68517600 0.63860900 1.0 S S59 1 0.98091700 0.66141100 0.02552200 1.0 S S60 1 0.10671500 0.79895500 0.50825400 1.0 S S61 1 0.25501400 0.91549100 0.24505400 1.0 S S62 1 0.26478800 0.94841900 0.74077200 1.0 S S63 1 0.03580700 0.28583600 0.11844100 1.0 S S64 1 0.05461900 0.44019100 0.60275900 1.0 S S65 1 0.25002900 0.96419300 0.11844100 1.0 S S66 1 0.38557200 0.94538100 0.60275900 1.0 S S67 1 0.08450900 0.33952300 0.24505400 1.0 S S68 1 0.05158100 0.31636900 0.74077200 1.0 S S69 1 0.33333300 0.66666700 0.76304200 1.0 S S70 1 0.33333300 0.66666700 0.23575200 1.0 S S71 1 0.33333300 0.66666700 0.01277900 1.0 S S72 1 0.33333300 0.66666700 0.48151500 1.0 S S73 1 0.20104500 0.30776000 0.50825400 1.0 S S74 1 0.33858900 0.31950500 0.02552200 1.0 S S75 1 0.58766200 0.07513800 0.15025800 1.0 S S76 1 0.67441000 0.98923300 0.63860900 1.0 S S77 1 0.48747500 0.41233800 0.15025800 1.0 S S78 1 0.31482400 0.32559000 0.63860900 1.0 S S79 1 0.68049500 0.01908300 0.02552200 1.0 S S80 1 0.69224000 0.89328500 0.50825400 1.0 S S81 1 0.28583600 0.25002900 0.88155900 1.0 S S82 1 0.44019100 0.38557200 0.39724100 1.0 S S83 1 0.33952300 0.25501400 0.75494600 1.0 S S84 1 0.31636900 0.26478800 0.25922800 1.0 S S85 1 0.66047700 0.74498600 0.24505400 1.0 S S86 1 0.68363100 0.73521200 0.74077200 1.0 S S87 1 0.71416400 0.74997100 0.11844100 1.0 S S88 1 0.55980900 0.61442800 0.60275900 1.0 S S89 1 0.31950500 0.98091700 0.97447800 1.0 S S90 1 0.30776000 0.10671500 0.49174600 1.0 S S91 1 0.68517600 0.67441000 0.36139100 1.0 S S92 1 0.51252500 0.58766200 0.84974200 1.0 S S93 1 0.41233800 0.92486200 0.84974200 1.0 S S94 1 0.32559000 0.01076700 0.36139100 1.0 S S95 1 0.79895500 0.69224000 0.49174600 1.0 S S96 1 0.66141100 0.68049500 0.97447800 1.0 S S97 1 0.66666700 0.33333300 0.98722100 1.0 S S98 1 0.66666700 0.33333300 0.51848500 1.0 S S99 1 0.66666700 0.33333300 0.23695800 1.0 S S100 1 0.66666700 0.33333300 0.76424800 1.0 S S101 1 0.91549100 0.66047700 0.75494600 1.0 S S102 1 0.94841900 0.68363100 0.25922800 1.0 S S103 1 0.74997100 0.03580700 0.88155900 1.0 S S104 1 0.61442800 0.05461900 0.39724100 1.0 S S105 1 0.96419300 0.71416400 0.88155900 1.0 S S106 1 0.94538100 0.55980900 0.39724100 1.0 S S107 1 0.74498600 0.08450900 0.75494600 1.0 S S108 1 0.73521200 0.05158100 0.25922800 1.0 S S109 1 0.01908300 0.33858900 0.97447800 1.0 S S110 1 0.89328500 0.20104500 0.49174600 1.0 S S111 1 0.07513800 0.48747500 0.84974200 1.0 S S112 1 0.98923300 0.31482400 0.36139100 1.0