# generated using pymatgen data_FeCu8Sb3S13N6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.46461247 _cell_length_b 12.46461247 _cell_length_c 12.46461247 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCu8Sb3S13N6 _chemical_formula_sum 'Fe2 Cu16 Sb6 S26 N12' _cell_volume 1369.37168568 _cell_formula_units_Z 2 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 Fe Fe0 1 0.25000000 0.25000000 0.25000000 1.0 Fe Fe1 1 0.75000000 0.75000000 0.75000000 1.0 Cu Cu2 1 0.08413100 0.74760700 0.08413100 1.0 Cu Cu3 1 0.74760700 0.08413100 0.08413100 1.0 Cu Cu4 1 0.08413100 0.08413100 0.74760700 1.0 Cu Cu5 1 0.08413100 0.08413100 0.08413100 1.0 Cu Cu6 1 0.58413100 0.58413100 0.24760700 1.0 Cu Cu7 1 0.24760700 0.58413100 0.58413100 1.0 Cu Cu8 1 0.58413100 0.24760700 0.58413100 1.0 Cu Cu9 1 0.58413100 0.58413100 0.58413100 1.0 Cu Cu10 1 0.91586900 0.25239300 0.91586900 1.0 Cu Cu11 1 0.25239300 0.91586900 0.91586900 1.0 Cu Cu12 1 0.91586900 0.91586900 0.25239300 1.0 Cu Cu13 1 0.91586900 0.91586900 0.91586900 1.0 Cu Cu14 1 0.41586900 0.41586900 0.75239300 1.0 Cu Cu15 1 0.75239300 0.41586900 0.41586900 1.0 Cu Cu16 1 0.41586900 0.75239300 0.41586900 1.0 Cu Cu17 1 0.41586900 0.41586900 0.41586900 1.0 Sb Sb18 1 0.25000000 0.75000000 0.75000000 1.0 Sb Sb19 1 0.75000000 0.75000000 0.25000000 1.0 Sb Sb20 1 0.25000000 0.75000000 0.25000000 1.0 Sb Sb21 1 0.75000000 0.25000000 0.25000000 1.0 Sb Sb22 1 0.75000000 0.25000000 0.75000000 1.0 Sb Sb23 1 0.25000000 0.25000000 0.75000000 1.0 S S24 1 0.29201700 0.70798300 0.93974200 1.0 S S25 1 0.93974200 0.70798300 0.06025800 1.0 S S26 1 0.06025800 0.70798300 0.29201700 1.0 S S27 1 0.70798300 0.29201700 0.06025800 1.0 S S28 1 0.70798300 0.93974200 0.29201700 1.0 S S29 1 0.70798300 0.06025800 0.93974200 1.0 S S30 1 0.06025800 0.93974200 0.70798300 1.0 S S31 1 0.29201700 0.06025800 0.70798300 1.0 S S32 1 0.93974200 0.29201700 0.70798300 1.0 S S33 1 0.93974200 0.06025800 0.29201700 1.0 S S34 1 0.06025800 0.29201700 0.93974200 1.0 S S35 1 0.29201700 0.93974200 0.06025800 1.0 S S36 1 0.79201700 0.43974200 0.20798300 1.0 S S37 1 0.43974200 0.56025800 0.20798300 1.0 S S38 1 0.56025800 0.79201700 0.20798300 1.0 S S39 1 0.20798300 0.56025800 0.79201700 1.0 S S40 1 0.20798300 0.79201700 0.43974200 1.0 S S41 1 0.20798300 0.43974200 0.56025800 1.0 S S42 1 0.56025800 0.20798300 0.43974200 1.0 S S43 1 0.79201700 0.20798300 0.56025800 1.0 S S44 1 0.43974200 0.20798300 0.79201700 1.0 S S45 1 0.43974200 0.79201700 0.56025800 1.0 S S46 1 0.56025800 0.43974200 0.79201700 1.0 S S47 1 0.79201700 0.56025800 0.43974200 1.0 S S48 1 0.00000000 0.00000000 0.00000000 1.0 S S49 1 0.50000000 0.50000000 0.50000000 1.0 N N50 1 0.35512400 0.35512400 0.14487600 1.0 N N51 1 0.14487600 0.35512400 0.14487600 1.0 N N52 1 0.14487600 0.35512400 0.35512400 1.0 N N53 1 0.35512400 0.14487600 0.35512400 1.0 N N54 1 0.35512400 0.14487600 0.14487600 1.0 N N55 1 0.14487600 0.14487600 0.35512400 1.0 N N56 1 0.85512400 0.64487600 0.85512400 1.0 N N57 1 0.64487600 0.64487600 0.85512400 1.0 N N58 1 0.64487600 0.85512400 0.85512400 1.0 N N59 1 0.85512400 0.85512400 0.64487600 1.0 N N60 1 0.85512400 0.64487600 0.64487600 1.0 N N61 1 0.64487600 0.85512400 0.64487600 1.0