# generated using pymatgen data_Ce11MnS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 29.54287662 _cell_length_b 8.49942536 _cell_length_c 8.56200589 _cell_angle_alpha 90.00000000 _cell_angle_beta 54.57530038 _cell_angle_gamma 54.87263482 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce11MnS16 _chemical_formula_sum 'Ce22 Mn2 S32' _cell_volume 1240.52221298 _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 0.99897460 0.12428441 0.74573163 1.0 Ce Ce1 1 0.05964279 0.63363784 0.37887495 1.0 Ce Ce2 1 0.12462270 0.25102630 0.62745366 1.0 Ce Ce3 1 0.25066831 0.36934489 0.24629196 1.0 Ce Ce4 1 0.19035721 0.87220898 0.12112505 1.0 Ce Ce5 1 0.25102540 0.12018281 0.75426837 1.0 Ce Ce6 1 0.12537730 0.74951711 0.87254634 1.0 Ce Ce7 1 0.31396966 0.62468198 0.36514754 1.0 Ce Ce8 1 0.37500000 0.25000000 0.62130286 1.0 Ce Ce9 1 0.49897460 0.37981719 0.25836997 1.0 Ce Ce10 1 0.43603034 0.87531802 0.12102617 1.0 Ce Ce11 1 0.49933169 0.13065511 0.74896519 1.0 Ce Ce12 1 0.55964279 0.62779102 0.38255390 1.0 Ce Ce13 1 0.62537730 0.24897370 0.62594446 1.0 Ce Ce14 1 0.75102540 0.37571559 0.24163003 1.0 Ce Ce15 1 0.69035721 0.86636216 0.11744610 1.0 Ce Ce16 1 0.75066831 0.12798188 0.75103481 1.0 Ce Ce17 1 0.62462270 0.75048289 0.87405554 1.0 Ce Ce18 1 0.81396966 0.61943939 0.37897383 1.0 Ce Ce19 1 0.99933169 0.37201812 0.25370804 1.0 Ce Ce20 1 0.93603034 0.88056061 0.13485246 1.0 Ce Ce21 1 0.87500000 0.75000000 0.87869714 1.0 Mn Mn22 1 0.37500000 0.75000000 0.87339581 1.0 Mn Mn23 1 0.87500000 0.25000000 0.62660419 1.0 S S24 1 0.08652192 0.50145859 0.00326876 1.0 S S25 1 0.03830419 0.34749622 0.49875385 1.0 S S26 1 0.02961170 0.01144647 0.35909231 1.0 S S27 1 0.22038830 0.12989326 0.14090769 1.0 S S28 1 0.21169581 0.50071298 0.00124615 1.0 S S29 1 0.08726405 0.64933286 0.65045196 1.0 S S30 1 0.16273595 -0.00161093 0.84954804 1.0 S S31 1 0.16347808 0.84754626 0.49673124 1.0 S S32 1 0.34045191 0.50754711 -0.01405982 1.0 S S33 1 0.28740428 0.35036130 0.49860795 1.0 S S34 1 0.28526866 0.00697497 0.36181851 1.0 S S35 1 0.46259572 0.14963870 0.14822509 1.0 S S36 1 0.46473134 0.49302503 0.00289315 1.0 S S37 1 0.40954809 -0.00754711 0.84774780 1.0 S S38 1 0.33650526 0.64823742 0.64455407 1.0 S S39 1 0.41349474 0.85176258 0.49057512 1.0 S S40 1 0.58726405 0.50161093 0.00049184 1.0 S S41 1 0.52961170 0.37010674 0.52246091 1.0 S S42 1 0.53830419 -0.00071298 0.34802938 1.0 S S43 1 0.71169581 0.15250378 0.15197062 1.0 S S44 1 0.72038830 0.48855353 -0.02246091 1.0 S S45 1 0.66347808 -0.00145859 0.84935643 1.0 S S46 1 0.58652192 0.65245374 0.65064357 1.0 S S47 1 0.66273595 0.85066714 0.49950816 1.0 S S48 1 0.83650526 0.50574153 0.00942488 1.0 S S49 1 0.78526866 0.35195039 0.49710685 1.0 S S50 1 0.78740428 0.00002156 0.35177491 1.0 S S51 1 0.96473134 0.14804961 0.13818149 1.0 S S52 1 0.96259572 0.49997844 0.00139205 1.0 S S53 1 0.91349474 -0.00574153 0.85544593 1.0 S S54 1 0.84045191 0.63064527 0.65225220 1.0 S S55 1 0.90954809 0.86935473 0.51405982 1.0