# generated using pymatgen data_K9Co2S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.82423100 _cell_length_b 12.82423100 _cell_length_c 12.82423100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K9Co2S7 _chemical_formula_sum 'K36 Co8 S28' _cell_volume 2109.08458158 _cell_formula_units_Z 4 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 0.93567500 0.55620700 0.78078800 1.0 K K1 1 0.21921200 0.43567500 0.94379300 1.0 K K2 1 0.17047000 0.32953000 0.67047000 1.0 K K3 1 0.00000000 0.00000000 0.00000000 1.0 K K4 1 0.94379300 0.21921200 0.43567500 1.0 K K5 1 0.43567500 0.94379300 0.21921200 1.0 K K6 1 0.00000000 0.50000000 0.50000000 1.0 K K7 1 0.05620700 0.78078800 0.56432500 1.0 K K8 1 0.06432500 0.05620700 0.71921200 1.0 K K9 1 0.82953000 0.67047000 0.32953000 1.0 K K10 1 0.94379300 0.28078800 0.93567500 1.0 K K11 1 0.50000000 0.50000000 0.00000000 1.0 K K12 1 0.78078800 0.93567500 0.55620700 1.0 K K13 1 0.82953000 0.82953000 0.82953000 1.0 K K14 1 0.67047000 0.32953000 0.82953000 1.0 K K15 1 0.93567500 0.94379300 0.28078800 1.0 K K16 1 0.44379300 0.28078800 0.56432500 1.0 K K17 1 0.21921200 0.06432500 0.44379300 1.0 K K18 1 0.44379300 0.21921200 0.06432500 1.0 K K19 1 0.28078800 0.56432500 0.44379300 1.0 K K20 1 0.55620700 0.71921200 0.43567500 1.0 K K21 1 0.50000000 0.00000000 0.50000000 1.0 K K22 1 0.05620700 0.71921200 0.06432500 1.0 K K23 1 0.56432500 0.05620700 0.78078800 1.0 K K24 1 0.43567500 0.55620700 0.71921200 1.0 K K25 1 0.28078800 0.93567500 0.94379300 1.0 K K26 1 0.56432500 0.44379300 0.28078800 1.0 K K27 1 0.78078800 0.56432500 0.05620700 1.0 K K28 1 0.71921200 0.06432500 0.05620700 1.0 K K29 1 0.06432500 0.44379300 0.21921200 1.0 K K30 1 0.32953000 0.82953000 0.67047000 1.0 K K31 1 0.55620700 0.78078800 0.93567500 1.0 K K32 1 0.17047000 0.17047000 0.17047000 1.0 K K33 1 0.71921200 0.43567500 0.55620700 1.0 K K34 1 0.32953000 0.67047000 0.17047000 1.0 K K35 1 0.67047000 0.17047000 0.32953000 1.0 Co Co36 1 0.81425800 0.18574200 0.68574200 1.0 Co Co37 1 0.18574200 0.68574200 0.81425800 1.0 Co Co38 1 0.31425800 0.31425800 0.31425800 1.0 Co Co39 1 0.81425800 0.31425800 0.18574200 1.0 Co Co40 1 0.18574200 0.81425800 0.31425800 1.0 Co Co41 1 0.68574200 0.68574200 0.68574200 1.0 Co Co42 1 0.68574200 0.81425800 0.18574200 1.0 Co Co43 1 0.31425800 0.18574200 0.81425800 1.0 S S44 1 0.81981200 0.82540900 0.08101500 1.0 S S45 1 0.17459100 0.58101500 0.68018800 1.0 S S46 1 0.41898500 0.31981200 0.82540900 1.0 S S47 1 0.50000000 0.50000000 0.50000000 1.0 S S48 1 0.32540900 0.41898500 0.18018800 1.0 S S49 1 0.81981200 0.67459100 0.58101500 1.0 S S50 1 0.18018800 0.32540900 0.41898500 1.0 S S51 1 0.58101500 0.81981200 0.67459100 1.0 S S52 1 0.31981200 0.67459100 0.91898500 1.0 S S53 1 0.50000000 0.00000000 0.00000000 1.0 S S54 1 0.82540900 0.08101500 0.81981200 1.0 S S55 1 0.58101500 0.68018800 0.17459100 1.0 S S56 1 0.18018800 0.17459100 0.91898500 1.0 S S57 1 0.00000000 0.00000000 0.50000000 1.0 S S58 1 0.67459100 0.91898500 0.31981200 1.0 S S59 1 0.00000000 0.50000000 0.00000000 1.0 S S60 1 0.17459100 0.91898500 0.18018800 1.0 S S61 1 0.08101500 0.81981200 0.82540900 1.0 S S62 1 0.32540900 0.08101500 0.68018800 1.0 S S63 1 0.41898500 0.18018800 0.32540900 1.0 S S64 1 0.91898500 0.31981200 0.67459100 1.0 S S65 1 0.68018800 0.17459100 0.58101500 1.0 S S66 1 0.08101500 0.68018800 0.32540900 1.0 S S67 1 0.91898500 0.18018800 0.17459100 1.0 S S68 1 0.82540900 0.41898500 0.31981200 1.0 S S69 1 0.31981200 0.82540900 0.41898500 1.0 S S70 1 0.68018800 0.32540900 0.08101500 1.0 S S71 1 0.67459100 0.58101500 0.81981200 1.0