# generated using pymatgen data_La9Mn5S21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.82491551 _cell_length_b 11.82491551 _cell_length_c 11.82491522 _cell_angle_alpha 97.81832635 _cell_angle_beta 97.81832635 _cell_angle_gamma 97.81833350 _symmetry_Int_Tables_number 1 _chemical_formula_structural La9Mn5S21 _chemical_formula_sum 'La18 Mn10 S42' _cell_volume 1602.62231171 _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 La La0 1 0.11968100 0.88587200 0.75066100 1.0 La La1 1 0.45584300 0.21880800 0.07960200 1.0 La La2 1 0.78188100 0.55012300 0.41319000 1.0 La La3 1 0.41319000 0.78188100 0.55012300 1.0 La La4 1 0.75066100 0.11968100 0.88587200 1.0 La La5 1 0.07960200 0.45584300 0.21880800 1.0 La La6 1 0.21880800 0.07960200 0.45584300 1.0 La La7 1 0.55012300 0.41319000 0.78188100 1.0 La La8 1 0.88587200 0.75066100 0.11968100 1.0 La La9 1 0.21816300 0.45117100 0.58699000 1.0 La La10 1 0.54765600 0.78398100 0.92356700 1.0 La La11 1 0.88225400 0.11406500 0.25019700 1.0 La La12 1 0.92356700 0.54765600 0.78398100 1.0 La La13 1 0.25019700 0.88225400 0.11406500 1.0 La La14 1 0.58699000 0.21816300 0.45117100 1.0 La La15 1 0.11406500 0.25019700 0.88225400 1.0 La La16 1 0.45117100 0.58699000 0.21816300 1.0 La La17 1 0.78398100 0.92356700 0.54765600 1.0 Mn Mn18 1 0.71951000 0.38789700 0.05314400 1.0 Mn Mn19 1 0.05314400 0.71951000 0.38789700 1.0 Mn Mn20 1 0.38789700 0.05314400 0.71951000 1.0 Mn Mn21 1 0.88686900 0.22066000 0.55309700 1.0 Mn Mn22 1 0.22066000 0.55309700 0.88686900 1.0 Mn Mn23 1 0.55309700 0.88686900 0.22066000 1.0 Mn Mn24 1 0.84646600 0.84646600 0.84646600 1.0 Mn Mn25 1 0.16645100 0.16645100 0.16645100 1.0 Mn Mn26 1 0.66636500 0.66636500 0.66636500 1.0 Mn Mn27 1 0.34636900 0.34636900 0.34636900 1.0 S S28 1 0.54477500 0.39396200 0.30984400 1.0 S S29 1 0.87947500 0.73632500 0.65397100 1.0 S S30 1 0.22211500 0.07585500 0.98903900 1.0 S S31 1 0.98903900 0.22211500 0.07585500 1.0 S S32 1 0.30984400 0.54477500 0.39396200 1.0 S S33 1 0.65397100 0.87947500 0.73632500 1.0 S S34 1 0.73632500 0.65397100 0.87947500 1.0 S S35 1 0.07585500 0.98903900 0.22211500 1.0 S S36 1 0.39396200 0.30984400 0.54477500 1.0 S S37 1 0.13403500 0.27713900 0.35873800 1.0 S S38 1 0.46924500 0.61519200 0.70221800 1.0 S S39 1 0.78799600 0.93859000 0.02215500 1.0 S S40 1 0.70221800 0.46924500 0.61519200 1.0 S S41 1 0.02215500 0.78799600 0.93859000 1.0 S S42 1 0.35873800 0.13403500 0.27713900 1.0 S S43 1 0.93859000 0.02215500 0.78799600 1.0 S S44 1 0.27713900 0.35873800 0.13403500 1.0 S S45 1 0.61519200 0.70221800 0.46924500 1.0 S S46 1 0.84489100 0.51558000 0.17925200 1.0 S S47 1 0.17925200 0.84489100 0.51558000 1.0 S S48 1 0.51558000 0.17925200 0.84489100 1.0 S S49 1 0.67908100 0.01588400 0.34527200 1.0 S S50 1 0.01588400 0.34527200 0.67908100 1.0 S S51 1 0.34527200 0.67908100 0.01588400 1.0 S S52 1 0.54694100 0.44973700 0.02810800 1.0 S S53 1 0.88141900 0.78153400 0.36542100 1.0 S S54 1 0.21326100 0.11287800 0.70078100 1.0 S S55 1 0.70078100 0.21326100 0.11287800 1.0 S S56 1 0.02810800 0.54694100 0.44973700 1.0 S S57 1 0.36542100 0.88141900 0.78153400 1.0 S S58 1 0.78153400 0.36542100 0.88141900 1.0 S S59 1 0.11287800 0.70078100 0.21326100 1.0 S S60 1 0.44973700 0.02810800 0.54694100 1.0 S S61 1 0.97142400 0.07141700 0.48359600 1.0 S S62 1 0.30419000 0.40192800 0.81959400 1.0 S S63 1 0.63819300 0.73514900 0.15534000 1.0 S S64 1 0.81959400 0.30419000 0.40192800 1.0 S S65 1 0.15534000 0.63819300 0.73514900 1.0 S S66 1 0.48359600 0.97142400 0.07141700 1.0 S S67 1 0.73514900 0.15534000 0.63819300 1.0 S S68 1 0.07141700 0.48359600 0.97142400 1.0 S S69 1 0.40192800 0.81959400 0.30419000 1.0