# generated using pymatgen data_Ce6Si4S17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01100829 _cell_length_b 10.06565539 _cell_length_c 14.33625728 _cell_angle_alpha 82.26872617 _cell_angle_beta 86.86345495 _cell_angle_gamma 89.24233313 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce6Si4S17 _chemical_formula_sum 'Ce12 Si8 S34' _cell_volume 1286.55012784 _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 Ce Ce0 1 0.17050883 0.08854524 0.65803496 1.0 Ce Ce1 1 0.52036416 0.26834603 0.45847705 1.0 Ce Ce2 1 0.60604412 0.88470310 0.81721935 1.0 Ce Ce3 1 0.13025033 0.43055513 0.32550615 1.0 Ce Ce4 1 0.41788293 0.42104200 0.83338833 1.0 Ce Ce5 1 0.94859567 0.23877152 0.00057413 1.0 Ce Ce6 1 0.39395588 0.11529690 0.18278065 1.0 Ce Ce7 1 0.47963584 0.73165397 0.54152295 1.0 Ce Ce8 1 0.86974967 0.56944487 0.67449385 1.0 Ce Ce9 1 0.82949117 0.91145476 0.34196504 1.0 Ce Ce10 1 0.05140433 0.76122848 0.99942587 1.0 Ce Ce11 1 0.58211707 0.57895800 0.16661167 1.0 Si Si12 1 0.77374591 0.55846921 0.39426436 1.0 Si Si13 1 0.75236098 0.55941491 0.92284882 1.0 Si Si14 1 0.25098051 0.99911680 0.41526937 1.0 Si Si15 1 0.73083429 0.93787745 0.09914280 1.0 Si Si16 1 0.26916571 0.06212255 0.90085720 1.0 Si Si17 1 0.22625409 0.44153079 0.60573564 1.0 Si Si18 1 0.24763902 0.44058509 0.07715118 1.0 Si Si19 1 0.74901949 0.00088320 0.58473063 1.0 S S20 1 0.74648652 0.11339424 0.16738890 1.0 S S21 1 0.13265397 0.21666200 0.83268039 1.0 S S22 1 0.20317870 0.58962547 0.69548979 1.0 S S23 1 0.57128223 0.64597041 0.72115710 1.0 S S24 1 0.01818221 0.34717604 0.60287734 1.0 S S25 1 0.31710454 0.51868745 0.46659132 1.0 S S26 1 0.39419032 0.29941208 0.65370370 1.0 S S27 1 0.85464770 0.02855133 0.70733263 1.0 S S28 1 0.45784180 0.35276159 0.04900708 1.0 S S29 1 0.60580968 0.70058792 0.34629630 1.0 S S30 1 0.88401179 0.71121801 0.83845454 1.0 S S31 1 0.49103648 0.12754544 0.88590889 1.0 S S32 1 0.24232066 0.61338095 0.15004986 1.0 S S33 1 0.75767934 0.38661905 0.84995014 1.0 S S34 1 0.83908346 0.50162954 0.05679733 1.0 S S35 1 0.50896352 0.87245456 0.11409111 1.0 S S36 1 0.19157085 0.86620713 0.53682498 1.0 S S37 1 0.11598821 0.28878199 0.16154546 1.0 S S38 1 0.82163809 0.98128628 0.95688254 1.0 S S39 1 0.51525638 0.99428173 0.62310308 1.0 S S40 1 0.86734603 0.78333800 0.16731961 1.0 S S41 1 0.16091654 0.49837046 0.94320267 1.0 S S42 1 0.54215820 0.64723841 0.95099292 1.0 S S43 1 0.68289546 0.48131255 0.53340868 1.0 S S44 1 0.17836191 0.01871372 0.04311746 1.0 S S45 1 0.80842915 0.13379287 0.46317502 1.0 S S46 1 0.48474362 0.00571827 0.37689692 1.0 S S47 1 0.79332364 0.80894365 0.54021635 1.0 S S48 1 0.25351348 0.88660576 0.83261110 1.0 S S49 1 0.42871777 0.35402959 0.27884290 1.0 S S50 1 0.14535230 0.97144867 0.29266737 1.0 S S51 1 0.20667636 0.19105635 0.45978365 1.0 S S52 1 0.98181779 0.65282396 0.39712266 1.0 S S53 1 0.79682130 0.41037453 0.30451021 1.0