# generated using pymatgen data_K(Mo6S7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27955220 _cell_length_b 9.27955220 _cell_length_c 16.48243400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000143 _symmetry_Int_Tables_number 1 _chemical_formula_structural K(Mo6S7)2 _chemical_formula_sum 'K2 Mo24 S28' _cell_volume 1229.15318031 _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 0.66666700 0.33333300 0.75000000 1.0 K K1 1 0.33333300 0.66666700 0.25000000 1.0 Mo Mo2 1 0.66881300 0.50317500 0.31606900 1.0 Mo Mo3 1 0.65346300 0.15815900 0.45814200 1.0 Mo Mo4 1 0.49682500 0.16563800 0.31606900 1.0 Mo Mo5 1 0.34653700 0.50469600 0.95814200 1.0 Mo Mo6 1 0.15815900 0.65346300 0.95814200 1.0 Mo Mo7 1 0.34653700 0.84184100 0.54185800 1.0 Mo Mo8 1 0.50469600 0.34653700 0.45814200 1.0 Mo Mo9 1 0.84184100 0.49530400 0.45814200 1.0 Mo Mo10 1 0.66881300 0.16563800 0.18393100 1.0 Mo Mo11 1 0.83436200 0.33118700 0.31606900 1.0 Mo Mo12 1 0.49530400 0.84184100 0.95814200 1.0 Mo Mo13 1 0.33118700 0.49682500 0.68393100 1.0 Mo Mo14 1 0.49530400 0.65346300 0.54185800 1.0 Mo Mo15 1 0.50469600 0.15815900 0.04185800 1.0 Mo Mo16 1 0.83436200 0.50317500 0.18393100 1.0 Mo Mo17 1 0.15815900 0.50469600 0.54185800 1.0 Mo Mo18 1 0.50317500 0.83436200 0.68393100 1.0 Mo Mo19 1 0.33118700 0.83436200 0.81606900 1.0 Mo Mo20 1 0.65346300 0.49530400 0.04185800 1.0 Mo Mo21 1 0.84184100 0.34653700 0.04185800 1.0 Mo Mo22 1 0.16563800 0.49682500 0.81606900 1.0 Mo Mo23 1 0.49682500 0.33118700 0.18393100 1.0 Mo Mo24 1 0.16563800 0.66881300 0.68393100 1.0 Mo Mo25 1 0.50317500 0.66881300 0.81606900 1.0 S S26 1 0.33929800 0.36215500 0.81870000 1.0 S S27 1 0.36215500 0.33929800 0.31870000 1.0 S S28 1 0.95758700 0.30940200 0.44261500 1.0 S S29 1 0.36215500 0.02285700 0.18130000 1.0 S S30 1 0.63784500 0.97714300 0.81870000 1.0 S S31 1 0.35181500 0.04241300 0.44261500 1.0 S S32 1 0.63784500 0.66070200 0.68130000 1.0 S S33 1 0.69059800 0.64818500 0.44261500 1.0 S S34 1 0.66666700 0.33333300 0.56813800 1.0 S S35 1 0.35181500 0.30940200 0.05738500 1.0 S S36 1 0.33929800 0.97714300 0.68130000 1.0 S S37 1 0.95758700 0.64818500 0.05738500 1.0 S S38 1 0.64818500 0.69059800 0.94261500 1.0 S S39 1 0.97714300 0.63784500 0.31870000 1.0 S S40 1 0.66070200 0.63784500 0.18130000 1.0 S S41 1 0.69059800 0.04241300 0.05738500 1.0 S S42 1 0.33333300 0.66666700 0.43186200 1.0 S S43 1 0.66666700 0.33333300 0.93186200 1.0 S S44 1 0.02285700 0.66070200 0.81870000 1.0 S S45 1 0.97714300 0.33929800 0.18130000 1.0 S S46 1 0.04241300 0.69059800 0.55738500 1.0 S S47 1 0.04241300 0.35181500 0.94261500 1.0 S S48 1 0.30940200 0.95758700 0.94261500 1.0 S S49 1 0.33333300 0.66666700 0.06813800 1.0 S S50 1 0.02285700 0.36215500 0.68130000 1.0 S S51 1 0.30940200 0.35181500 0.55738500 1.0 S S52 1 0.66070200 0.02285700 0.31870000 1.0 S S53 1 0.64818500 0.95758700 0.55738500 1.0