# generated using pymatgen data_Ce2S3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71178100 _cell_length_b 12.74017000 _cell_length_c 12.91077650 _cell_angle_alpha 89.27995709 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2S3O16 _chemical_formula_sum 'Ce8 S12 O64' _cell_volume 1268.37589157 _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 Ce Ce0 1 0.21433900 0.32215900 0.56999500 1.0 Ce Ce1 1 0.71433900 0.17784100 0.93000500 1.0 Ce Ce2 1 0.78566100 0.67784100 0.43000500 1.0 Ce Ce3 1 0.28566100 0.82215900 0.06999500 1.0 Ce Ce4 1 0.22386200 0.34737400 0.23183900 1.0 Ce Ce5 1 0.72386200 0.15262600 0.26816100 1.0 Ce Ce6 1 0.77613800 0.65262600 0.76816100 1.0 Ce Ce7 1 0.27613800 0.84737400 0.73183900 1.0 S S8 1 0.85765000 0.39167800 0.40957000 1.0 S S9 1 0.35765000 0.10832200 0.09043000 1.0 S S10 1 0.14235000 0.60832200 0.59043000 1.0 S S11 1 0.64235000 0.89167800 0.90957000 1.0 S S12 1 0.42150300 0.13466300 0.69356000 1.0 S S13 1 0.92150300 0.36533700 0.80644000 1.0 S S14 1 0.57849700 0.86533700 0.30644000 1.0 S S15 1 0.07849700 0.63466300 0.19356000 1.0 S S16 1 0.20470300 0.13954100 0.37841200 1.0 S S17 1 0.70470300 0.36045900 0.12158800 1.0 S S18 1 0.79529700 0.86045900 0.62158800 1.0 S S19 1 0.29529700 0.63954100 0.87841200 1.0 O O20 1 0.98837200 0.41123900 0.32892300 1.0 O O21 1 0.48837200 0.08876100 0.17107700 1.0 O O22 1 0.01162800 0.58876100 0.67107700 1.0 O O23 1 0.51162800 0.91123900 0.82892300 1.0 O O24 1 0.73450000 0.30952700 0.37906200 1.0 O O25 1 0.23450000 0.19047300 0.12093800 1.0 O O26 1 0.26550000 0.69047300 0.62093800 1.0 O O27 1 0.76550000 0.80952700 0.87906200 1.0 O O28 1 0.94604600 0.35699600 0.50748900 1.0 O O29 1 0.44604600 0.14300400 0.99251100 1.0 O O30 1 0.05395400 0.64300400 0.49251100 1.0 O O31 1 0.55395400 0.85699600 0.00748900 1.0 O O32 1 0.76568000 0.49178600 0.42973800 1.0 O O33 1 0.26568000 0.00821400 0.07026200 1.0 O O34 1 0.23432000 0.50821400 0.57026200 1.0 O O35 1 0.73432000 0.99178600 0.92973800 1.0 O O36 1 0.50477400 0.16174000 0.59593000 1.0 O O37 1 0.00477400 0.33826000 0.90407000 1.0 O O38 1 0.49522600 0.83826000 0.40407000 1.0 O O39 1 0.99522600 0.66174000 0.09593000 1.0 O O40 1 0.54106900 0.13533800 0.78370000 1.0 O O41 1 0.04106900 0.36466200 0.71630000 1.0 O O42 1 0.45893100 0.86466200 0.21630000 1.0 O O43 1 0.95893100 0.63533800 0.28370000 1.0 O O44 1 0.28139900 0.21659500 0.71156200 1.0 O O45 1 0.78139900 0.28340500 0.78843800 1.0 O O46 1 0.71860100 0.78340500 0.28843800 1.0 O O47 1 0.21860100 0.71659500 0.21156200 1.0 O O48 1 0.33168600 0.02985200 0.69323500 1.0 O O49 1 0.83168600 0.47014800 0.80676500 1.0 O O50 1 0.66831400 0.97014800 0.30676500 1.0 O O51 1 0.16831400 0.52985200 0.19323500 1.0 O O52 1 0.23218300 0.03047700 0.36037600 1.0 O O53 1 0.73218300 0.46952300 0.13962400 1.0 O O54 1 0.76781700 0.96952300 0.63962400 1.0 O O55 1 0.26781700 0.53047700 0.86037600 1.0 O O56 1 0.16742300 0.16429300 0.48963100 1.0 O O57 1 0.66742300 0.33570700 0.01036900 1.0 O O58 1 0.83257700 0.83570700 0.51036900 1.0 O O59 1 0.33257700 0.66429300 0.98963100 1.0 O O60 1 0.36969300 0.20225500 0.34704900 1.0 O O61 1 0.86969300 0.29774500 0.15295100 1.0 O O62 1 0.63030700 0.79774500 0.65295100 1.0 O O63 1 0.13030700 0.70225500 0.84704900 1.0 O O64 1 0.06402400 0.18921000 0.31217800 1.0 O O65 1 0.56402400 0.31079000 0.18782200 1.0 O O66 1 0.93597600 0.81079000 0.68782200 1.0 O O67 1 0.43597600 0.68921000 0.81217800 1.0 O O68 1 0.57891800 0.38635600 0.59367500 1.0 O O69 1 0.07891800 0.11364400 0.90632500 1.0 O O70 1 0.42108200 0.61364400 0.40632500 1.0 O O71 1 0.92108200 0.88635600 0.09367500 1.0 O O72 1 0.03437800 0.07933300 0.82111700 1.0 O O73 1 0.53437800 0.42066700 0.67888300 1.0 O O74 1 0.96562200 0.92066700 0.17888300 1.0 O O75 1 0.46562200 0.57933300 0.32111700 1.0 O O76 1 0.76134500 0.11629600 0.41809200 1.0 O O77 1 0.26134500 0.38370400 0.08190800 1.0 O O78 1 0.23865500 0.88370400 0.58190800 1.0 O O79 1 0.73865500 0.61629600 0.91809200 1.0 O O80 1 0.30551600 0.35731100 0.41054800 1.0 O O81 1 0.80551600 0.14268900 0.08945200 1.0 O O82 1 0.69448400 0.64268900 0.58945200 1.0 O O83 1 0.19448400 0.85731100 0.91054800 1.0