# generated using pymatgen data_K5(Mo6S7)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67781333 _cell_length_b 9.67781333 _cell_length_c 14.58724000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999540 _symmetry_Int_Tables_number 1 _chemical_formula_structural K5(Mo6S7)4 _chemical_formula_sum 'K5 Mo24 S28' _cell_volume 1183.20027487 _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 0.33333300 0.66666700 0.24582300 1.0 K K1 1 0.00000000 0.00000000 0.19319600 1.0 K K2 1 0.66666700 0.33333300 0.75417700 1.0 K K3 1 0.00000000 0.00000000 0.50000000 1.0 K K4 1 0.00000000 0.00000000 0.80680400 1.0 Mo Mo5 1 0.14649100 0.63034800 0.65313300 1.0 Mo Mo6 1 0.05487000 0.60219100 0.04780600 1.0 Mo Mo7 1 0.10543600 0.63527700 0.44807400 1.0 Mo Mo8 1 0.28505500 0.79488800 0.81544300 1.0 Mo Mo9 1 0.20511200 0.49016700 0.81544300 1.0 Mo Mo10 1 0.52984000 0.89456400 0.44807400 1.0 Mo Mo11 1 0.54732100 0.94513000 0.04780600 1.0 Mo Mo12 1 0.36965200 0.51614300 0.65313300 1.0 Mo Mo13 1 0.48385700 0.85350900 0.65313300 1.0 Mo Mo14 1 0.39780900 0.45267900 0.04780600 1.0 Mo Mo15 1 0.36472300 0.47016000 0.44807400 1.0 Mo Mo16 1 0.50983300 0.71494500 0.81544300 1.0 Mo Mo17 1 0.49016700 0.28505500 0.18455700 1.0 Mo Mo18 1 0.63527700 0.52984000 0.55192600 1.0 Mo Mo19 1 0.60219100 0.54732100 0.95219400 1.0 Mo Mo20 1 0.51614300 0.14649100 0.34686700 1.0 Mo Mo21 1 0.63034800 0.48385700 0.34686700 1.0 Mo Mo22 1 0.45267900 0.05487000 0.95219400 1.0 Mo Mo23 1 0.47016000 0.10543600 0.55192600 1.0 Mo Mo24 1 0.79488800 0.50983300 0.18455700 1.0 Mo Mo25 1 0.71494500 0.20511200 0.18455700 1.0 Mo Mo26 1 0.89456400 0.36472300 0.55192600 1.0 Mo Mo27 1 0.94513000 0.39780900 0.95219400 1.0 Mo Mo28 1 0.85350900 0.36965200 0.34686700 1.0 S S29 1 0.00838400 0.57783000 0.80616500 1.0 S S30 1 0.93120700 0.62618700 0.56436500 1.0 S S31 1 0.17669000 0.85871800 0.94521400 1.0 S S32 1 0.07451300 0.34645600 0.67105200 1.0 S S33 1 0.27194400 0.92548700 0.67105200 1.0 S S34 1 0.14128200 0.31797200 0.94521400 1.0 S S35 1 0.33333300 0.66666700 0.52993200 1.0 S S36 1 0.33333300 0.66666700 0.04372000 1.0 S S37 1 0.37381300 0.30502000 0.56436500 1.0 S S38 1 0.56944600 0.99161600 0.80616500 1.0 S S39 1 0.42217000 0.43055400 0.80616500 1.0 S S40 1 0.69498000 0.06879300 0.56436500 1.0 S S41 1 0.34645600 0.27194400 0.32894800 1.0 S S42 1 0.31797200 0.17669000 0.05478600 1.0 S S43 1 0.68202800 0.82331000 0.94521400 1.0 S S44 1 0.65354400 0.72805600 0.67105200 1.0 S S45 1 0.30502000 0.93120700 0.43563500 1.0 S S46 1 0.57783000 0.56944600 0.19383500 1.0 S S47 1 0.43055400 0.00838400 0.19383500 1.0 S S48 1 0.62618700 0.69498000 0.43563500 1.0 S S49 1 0.66666700 0.33333300 0.95628000 1.0 S S50 1 0.66666700 0.33333300 0.47006800 1.0 S S51 1 0.85871800 0.68202800 0.05478600 1.0 S S52 1 0.72805600 0.07451300 0.32894800 1.0 S S53 1 0.92548700 0.65354400 0.32894800 1.0 S S54 1 0.82331000 0.14128200 0.05478600 1.0 S S55 1 0.06879300 0.37381300 0.43563500 1.0 S S56 1 0.99161600 0.42217000 0.19383500 1.0