# generated using pymatgen data_Ag2As3S6N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28843200 _cell_length_b 9.75456700 _cell_length_c 19.30447517 _cell_angle_alpha 61.06818403 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2As3S6N _chemical_formula_sum 'Ag8 As12 S24 N4' _cell_volume 1201.17266235 _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 Ag Ag0 1 0.98069800 0.15818200 0.00095800 1.0 Ag Ag1 1 0.51930200 0.15818200 0.50095800 1.0 Ag Ag2 1 0.01930200 0.84181800 0.99904200 1.0 Ag Ag3 1 0.48069800 0.84181800 0.49904200 1.0 Ag Ag4 1 0.46470900 0.12494700 0.89983300 1.0 Ag Ag5 1 0.03529100 0.12494700 0.39983300 1.0 Ag Ag6 1 0.53529100 0.87505300 0.10016700 1.0 Ag Ag7 1 0.96470900 0.87505300 0.60016700 1.0 As As8 1 0.40062400 0.45260200 0.91520900 1.0 As As9 1 0.09937600 0.45260200 0.41520900 1.0 As As10 1 0.59937600 0.54739800 0.08479100 1.0 As As11 1 0.90062400 0.54739800 0.58479100 1.0 As As12 1 0.38395100 0.70577500 0.72077700 1.0 As As13 1 0.11604900 0.70577500 0.22077700 1.0 As As14 1 0.61604900 0.29422500 0.27922300 1.0 As As15 1 0.88395100 0.29422500 0.77922300 1.0 As As16 1 0.34621000 0.83237100 0.85244100 1.0 As As17 1 0.15379000 0.83237100 0.35244100 1.0 As As18 1 0.65379000 0.16762900 0.14755900 1.0 As As19 1 0.84621000 0.16762900 0.64755900 1.0 S S20 1 0.31266500 0.20414900 0.00255100 1.0 S S21 1 0.18733500 0.20414900 0.50255100 1.0 S S22 1 0.68733500 0.79585100 0.99744900 1.0 S S23 1 0.81266500 0.79585100 0.49744900 1.0 S S24 1 0.25105600 0.73478800 0.60951000 1.0 S S25 1 0.24894400 0.73478800 0.10951000 1.0 S S26 1 0.74894400 0.26521200 0.39049000 1.0 S S27 1 0.75105600 0.26521200 0.89049000 1.0 S S28 1 0.19570800 0.00837900 0.87292300 1.0 S S29 1 0.30429200 0.00837900 0.37292300 1.0 S S30 1 0.80429200 0.99162100 0.12707700 1.0 S S31 1 0.69570800 0.99162100 0.62707700 1.0 S S32 1 0.24269400 0.47124300 0.80811100 1.0 S S33 1 0.25730600 0.47124300 0.30811100 1.0 S S34 1 0.75730600 0.52875700 0.19188900 1.0 S S35 1 0.74269400 0.52875700 0.69188900 1.0 S S36 1 0.19543500 0.88094200 0.73533700 1.0 S S37 1 0.30456500 0.88094200 0.23533700 1.0 S S38 1 0.80456500 0.11905800 0.26466300 1.0 S S39 1 0.69543500 0.11905800 0.76466300 1.0 S S40 1 0.21273900 0.60586600 0.94959700 1.0 S S41 1 0.28726100 0.60586600 0.44959700 1.0 S S42 1 0.78726100 0.39413400 0.05040300 1.0 S S43 1 0.71273900 0.39413400 0.55040300 1.0 N N44 1 0.69297500 0.67719600 0.33500200 1.0 N N45 1 0.80702500 0.67719600 0.83500200 1.0 N N46 1 0.30702500 0.32280400 0.66499800 1.0 N N47 1 0.19297500 0.32280400 0.16499800 1.0