# generated using pymatgen data_K6Fe24S26Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.15326441 _cell_length_b 12.15326441 _cell_length_c 12.15326441 _cell_angle_alpha 131.65042062 _cell_angle_beta 131.65042062 _cell_angle_gamma 70.78171304 _symmetry_Int_Tables_number 1 _chemical_formula_structural K6Fe24S26Cl _chemical_formula_sum 'K6 Fe24 S26 Cl1' _cell_volume 981.67454645 _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 0.29941300 0.00000000 0.29941300 1.0 K K1 1 0.15366100 0.15366100 0.00000000 1.0 K K2 1 0.00000000 0.29941300 0.29941300 1.0 K K3 1 0.70058700 0.00000000 0.70058700 1.0 K K4 1 0.84633900 0.84633900 0.00000000 1.0 K K5 1 0.00000000 0.70058700 0.70058700 1.0 Fe Fe6 1 0.69722400 0.43491800 0.00000000 1.0 Fe Fe7 1 0.05311600 0.81555300 0.50133700 1.0 Fe Fe8 1 0.55177900 0.05311600 0.23756200 1.0 Fe Fe9 1 0.30277600 0.56508200 0.00000000 1.0 Fe Fe10 1 0.31421700 0.55177900 0.49866300 1.0 Fe Fe11 1 0.18444700 0.68578300 0.23756200 1.0 Fe Fe12 1 0.94688400 0.44822100 0.76243800 1.0 Fe Fe13 1 0.44822100 0.68578300 0.50133700 1.0 Fe Fe14 1 0.55177900 0.31421700 0.49866300 1.0 Fe Fe15 1 0.31421700 0.81555300 0.76243800 1.0 Fe Fe16 1 0.05311600 0.55177900 0.23756200 1.0 Fe Fe17 1 0.68578300 0.18444700 0.23756200 1.0 Fe Fe18 1 0.81555300 0.05311600 0.50133700 1.0 Fe Fe19 1 0.43491800 0.43491800 0.73769400 1.0 Fe Fe20 1 0.81555300 0.31421700 0.76243800 1.0 Fe Fe21 1 0.56508200 0.56508200 0.26230600 1.0 Fe Fe22 1 0.43491800 0.69722400 0.00000000 1.0 Fe Fe23 1 0.69722400 0.69722400 0.26230600 1.0 Fe Fe24 1 0.56508200 0.30277600 0.00000000 1.0 Fe Fe25 1 0.94688400 0.18444700 0.49866300 1.0 Fe Fe26 1 0.68578300 0.44822100 0.50133700 1.0 Fe Fe27 1 0.30277600 0.30277600 0.73769400 1.0 Fe Fe28 1 0.18444700 0.94688400 0.49866300 1.0 Fe Fe29 1 0.44822100 0.94688400 0.76243800 1.0 S S30 1 0.50493600 0.25092700 0.25400900 1.0 S S31 1 0.62452300 0.12452300 0.50000000 1.0 S S32 1 0.11744200 0.11744200 0.46691300 1.0 S S33 1 0.00308200 0.74907300 0.25400900 1.0 S S34 1 0.34947100 0.34947100 0.46691300 1.0 S S35 1 0.99691800 0.25092700 0.74599100 1.0 S S36 1 0.74907300 0.00308200 0.25400900 1.0 S S37 1 0.25092700 0.99691800 0.74599100 1.0 S S38 1 0.49506400 0.74907300 0.74599100 1.0 S S39 1 0.65052900 0.11744200 0.00000000 1.0 S S40 1 0.37547700 0.87547700 0.50000000 1.0 S S41 1 0.37630100 0.37630100 0.00000000 1.0 S S42 1 0.87547700 0.37547700 0.50000000 1.0 S S43 1 0.12452300 0.62452300 0.50000000 1.0 S S44 1 0.65052900 0.65052900 0.53308700 1.0 S S45 1 0.50000000 0.74829500 0.24829500 1.0 S S46 1 0.25170500 0.50000000 0.75170500 1.0 S S47 1 0.62369900 0.62369900 0.00000000 1.0 S S48 1 0.88255800 0.34947100 0.00000000 1.0 S S49 1 0.11744200 0.65052900 0.00000000 1.0 S S50 1 0.74907300 0.49506400 0.74599100 1.0 S S51 1 0.25092700 0.50493600 0.25400900 1.0 S S52 1 0.74829500 0.50000000 0.24829500 1.0 S S53 1 0.88255800 0.88255800 0.53308700 1.0 S S54 1 0.50000000 0.25170500 0.75170500 1.0 S S55 1 0.34947100 0.88255800 0.00000000 1.0 Cl Cl56 1 0.00000000 0.00000000 0.00000000 1.0