# generated using pymatgen data_K3FeSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.96895188 _cell_length_b 8.05261049 _cell_length_c 10.54066596 _cell_angle_alpha 52.50520681 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3FeSe3 _chemical_formula_sum 'K12 Fe4 Se12' _cell_volume 873.38666734 _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 0.19021725 0.12903502 0.58307001 1.0 K K1 1 0.08058015 0.64846502 0.60723469 1.0 K K2 1 0.62581115 0.37482380 0.47554669 1.0 K K3 1 0.37418885 0.62517620 0.52445331 1.0 K K4 1 0.87418885 0.37482380 0.97554669 1.0 K K5 1 0.58058015 0.35153498 0.89276531 1.0 K K6 1 0.12581115 0.62517620 0.02445331 1.0 K K7 1 0.91941985 0.35153498 0.39276531 1.0 K K8 1 0.30978275 0.12903502 0.08307001 1.0 K K9 1 0.41941985 0.64846502 0.10723469 1.0 K K10 1 0.80978275 0.87096498 0.41692999 1.0 K K11 1 0.69021725 0.87096498 0.91692999 1.0 Fe Fe12 1 0.44042740 0.93673255 0.66174750 1.0 Fe Fe13 1 0.94042740 0.06326745 0.83825250 1.0 Fe Fe14 1 0.55957260 0.06326745 0.33825250 1.0 Fe Fe15 1 0.05957260 0.93673255 0.16174750 1.0 Se Se16 1 0.61244071 0.84882200 0.62262010 1.0 Se Se17 1 0.45076317 0.12845031 0.76347971 1.0 Se Se18 1 0.82547768 0.35181799 0.68536725 1.0 Se Se19 1 0.38755929 0.15117800 0.37737990 1.0 Se Se20 1 0.11244071 0.15117800 0.87737990 1.0 Se Se21 1 0.17452232 0.64818201 0.31463275 1.0 Se Se22 1 0.54923683 0.87154969 0.23652029 1.0 Se Se23 1 0.32547768 0.64818201 0.81463275 1.0 Se Se24 1 0.88755929 0.84882200 0.12262010 1.0 Se Se25 1 0.95076317 0.87154969 0.73652029 1.0 Se Se26 1 0.04923683 0.12845031 0.26347971 1.0 Se Se27 1 0.67452232 0.35181799 0.18536725 1.0