# generated using pymatgen data_CdC7S3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55701800 _cell_length_b 10.76058600 _cell_length_c 14.05130100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdC7S3N4 _chemical_formula_sum 'Cd4 C28 S12 N16' _cell_volume 1445.02334669 _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 Cd Cd0 1 0.99758000 0.57737300 0.28072900 1.0 Cd Cd1 1 0.49758000 0.42262700 0.71927100 1.0 Cd Cd2 1 0.49758000 0.92262700 0.78072900 1.0 Cd Cd3 1 0.99758000 0.07737300 0.21927100 1.0 C C4 1 0.51038000 0.76445700 0.35763400 1.0 C C5 1 0.01038000 0.23554300 0.64236600 1.0 C C6 1 0.01038000 0.73554300 0.85763400 1.0 C C7 1 0.51038000 0.26445700 0.14236600 1.0 C C8 1 0.58435800 0.91750600 0.38688900 1.0 C C9 1 0.08435800 0.08249400 0.61311100 1.0 C C10 1 0.08435800 0.58249400 0.88688900 1.0 C C11 1 0.58435800 0.41750600 0.11311100 1.0 C C12 1 0.56119000 0.80982000 0.45225700 1.0 C C13 1 0.06119000 0.19018000 0.54774300 1.0 C C14 1 0.06119000 0.69018000 0.95225700 1.0 C C15 1 0.56119000 0.30982000 0.04774300 1.0 C C16 1 0.41980500 0.86706200 0.44172000 1.0 C C17 1 0.91980500 0.13293800 0.55828000 1.0 C C18 1 0.91980500 0.63293800 0.94172000 1.0 C C19 1 0.41980500 0.36706200 0.05828000 1.0 C C20 1 0.00030000 0.85232900 0.38824100 1.0 C C21 1 0.50030000 0.14767100 0.61175900 1.0 C C22 1 0.50030000 0.64767100 0.88824100 1.0 C C23 1 0.00030000 0.35232900 0.11175900 1.0 C C24 1 0.82304000 0.80472900 0.17518400 1.0 C C25 1 0.32304000 0.19527100 0.82481600 1.0 C C26 1 0.32304000 0.69527100 0.67518400 1.0 C C27 1 0.82304000 0.30472900 0.32481600 1.0 C C28 1 0.18447500 0.80747800 0.18073400 1.0 C C29 1 0.68447500 0.19252200 0.81926600 1.0 C C30 1 0.68447500 0.69252200 0.68073400 1.0 C C31 1 0.18447500 0.30747800 0.31926600 1.0 S S32 1 0.00197900 0.72152700 0.44726400 1.0 S S33 1 0.50197900 0.27847300 0.55273600 1.0 S S34 1 0.50197900 0.77847300 0.94726400 1.0 S S35 1 0.00197900 0.22152700 0.05273600 1.0 S S36 1 0.80469500 0.93499700 0.11710400 1.0 S S37 1 0.30469500 0.06500300 0.88289600 1.0 S S38 1 0.30469500 0.56500300 0.61710400 1.0 S S39 1 0.80469500 0.43499700 0.38289600 1.0 S S40 1 0.21617500 0.94168700 0.13151700 1.0 S S41 1 0.71617500 0.05831300 0.86848300 1.0 S S42 1 0.71617500 0.55831300 0.63151700 1.0 S S43 1 0.21617500 0.44168700 0.36848300 1.0 N N44 1 0.44972400 0.88912700 0.33928300 1.0 N N45 1 0.94972400 0.11087300 0.66071700 1.0 N N46 1 0.94972400 0.61087300 0.83928300 1.0 N N47 1 0.44972400 0.38912700 0.16071700 1.0 N N48 1 0.99939100 0.94681700 0.34564900 1.0 N N49 1 0.49939100 0.05318300 0.65435100 1.0 N N50 1 0.49939100 0.55318300 0.84564900 1.0 N N51 1 0.99939100 0.44681700 0.15435100 1.0 N N52 1 0.83493600 0.71036600 0.21748900 1.0 N N53 1 0.33493600 0.28963400 0.78251100 1.0 N N54 1 0.33493600 0.78963400 0.71748900 1.0 N N55 1 0.83493600 0.21036600 0.28251100 1.0 N N56 1 0.16217300 0.70993200 0.21666300 1.0 N N57 1 0.66217300 0.29006800 0.78333700 1.0 N N58 1 0.66217300 0.79006800 0.71666300 1.0 N N59 1 0.16217300 0.20993200 0.28333700 1.0