# generated using pymatgen data_K3Fe(CN)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39330600 _cell_length_b 10.41579500 _cell_length_c 13.44090400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Fe(CN)6 _chemical_formula_sum 'K12 Fe4 C24 N24' _cell_volume 1175.04354109 _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 0.62652500 0.00000000 0.75000000 1.0 K K1 1 0.12588000 0.26981800 0.00129500 1.0 K K2 1 0.62588000 0.23018200 0.00129500 1.0 K K3 1 0.37347500 0.00000000 0.25000000 1.0 K K4 1 0.87412000 0.73018200 0.99870500 1.0 K K5 1 0.37412000 0.76981800 0.99870500 1.0 K K6 1 0.62588000 0.76981800 0.49870500 1.0 K K7 1 0.12652500 0.50000000 0.75000000 1.0 K K8 1 0.87347500 0.50000000 0.25000000 1.0 K K9 1 0.37412000 0.23018200 0.50129500 1.0 K K10 1 0.12588000 0.73018200 0.49870500 1.0 K K11 1 0.87412000 0.26981800 0.50129500 1.0 Fe Fe12 1 0.37658800 0.50000000 0.25000000 1.0 Fe Fe13 1 0.62341200 0.50000000 0.75000000 1.0 Fe Fe14 1 0.87658800 0.00000000 0.25000000 1.0 Fe Fe15 1 0.12341200 0.00000000 0.75000000 1.0 C C16 1 0.37630800 0.66703800 0.31038100 1.0 C C17 1 0.53626200 0.55406000 0.15583400 1.0 C C18 1 0.53626200 0.44594000 0.34416600 1.0 C C19 1 0.96373800 0.05406000 0.84416600 1.0 C C20 1 0.78576300 0.44791100 0.84234200 1.0 C C21 1 0.12369200 0.16703800 0.68961900 1.0 C C22 1 0.78576300 0.55208900 0.65765800 1.0 C C23 1 0.21423700 0.44791100 0.34234200 1.0 C C24 1 0.71423700 0.05208900 0.34234200 1.0 C C25 1 0.21423700 0.55208900 0.15765800 1.0 C C26 1 0.71423700 0.94791100 0.15765800 1.0 C C27 1 0.03626200 0.05406000 0.34416600 1.0 C C28 1 0.46373800 0.55406000 0.65583400 1.0 C C29 1 0.03626200 0.94594000 0.15583400 1.0 C C30 1 0.37630800 0.33296200 0.18961900 1.0 C C31 1 0.62369200 0.33296200 0.68961900 1.0 C C32 1 0.46373800 0.44594000 0.84416600 1.0 C C33 1 0.28576300 0.94791100 0.65765800 1.0 C C34 1 0.87630800 0.16703800 0.18961900 1.0 C C35 1 0.28576300 0.05208900 0.84234200 1.0 C C36 1 0.62369200 0.66703800 0.81038100 1.0 C C37 1 0.12369200 0.83296200 0.81038100 1.0 C C38 1 0.87630800 0.83296200 0.31038100 1.0 C C39 1 0.96373800 0.94594000 0.65583400 1.0 N N40 1 0.37976500 0.23183300 0.15049100 1.0 N N41 1 0.38692500 0.08359000 0.89795800 1.0 N N42 1 0.13644800 0.08797300 0.39965300 1.0 N N43 1 0.87976500 0.26816700 0.15049100 1.0 N N44 1 0.88692500 0.58359000 0.60204200 1.0 N N45 1 0.88692500 0.41641000 0.89795800 1.0 N N46 1 0.36355200 0.58797300 0.60034700 1.0 N N47 1 0.63644800 0.41202700 0.39965300 1.0 N N48 1 0.38692500 0.91641000 0.60204200 1.0 N N49 1 0.12023500 0.73183300 0.84950900 1.0 N N50 1 0.87976500 0.73183300 0.34950900 1.0 N N51 1 0.13644800 0.91202700 0.10034700 1.0 N N52 1 0.61307500 0.91641000 0.10204200 1.0 N N53 1 0.36355200 0.41202700 0.89965300 1.0 N N54 1 0.86355200 0.08797300 0.89965300 1.0 N N55 1 0.86355200 0.91202700 0.60034700 1.0 N N56 1 0.11307500 0.41641000 0.39795800 1.0 N N57 1 0.11307500 0.58359000 0.10204200 1.0 N N58 1 0.37976500 0.76816700 0.34950900 1.0 N N59 1 0.12023500 0.26816700 0.65049100 1.0 N N60 1 0.62023500 0.23183300 0.65049100 1.0 N N61 1 0.61307500 0.08359000 0.39795800 1.0 N N62 1 0.62023500 0.76816700 0.84950900 1.0 N N63 1 0.63644800 0.58797300 0.10034700 1.0