# generated using pymatgen data_Cs2Mo15S19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.80083274 _cell_length_b 19.80083274 _cell_length_c 19.80083350 _cell_angle_alpha 27.88622602 _cell_angle_beta 27.88622602 _cell_angle_gamma 27.88622575 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2Mo15S19 _chemical_formula_sum 'Cs4 Mo30 S38' _cell_volume 1499.78306421 _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 Cs Cs0 1 0.38656300 0.38656300 0.38656300 1.0 Cs Cs1 1 0.11343700 0.11343700 0.11343700 1.0 Cs Cs2 1 0.88656300 0.88656300 0.88656300 1.0 Cs Cs3 1 0.61343700 0.61343700 0.61343700 1.0 Mo Mo4 1 0.78301300 0.95892800 0.63004800 1.0 Mo Mo5 1 0.99734600 0.13416400 0.80653600 1.0 Mo Mo6 1 0.00265400 0.86583600 0.19346400 1.0 Mo Mo7 1 0.28301300 0.13004800 0.45892800 1.0 Mo Mo8 1 0.95892800 0.63004800 0.78301300 1.0 Mo Mo9 1 0.21698700 0.04107200 0.36995200 1.0 Mo Mo10 1 0.41352900 0.08647100 0.25000000 1.0 Mo Mo11 1 0.36583600 0.50265400 0.69346400 1.0 Mo Mo12 1 0.25000000 0.41352900 0.08647100 1.0 Mo Mo13 1 0.54107200 0.71698700 0.86995200 1.0 Mo Mo14 1 0.91352900 0.75000000 0.58647100 1.0 Mo Mo15 1 0.19346400 0.00265400 0.86583600 1.0 Mo Mo16 1 0.71698700 0.86995200 0.54107200 1.0 Mo Mo17 1 0.13416400 0.80653600 0.99734600 1.0 Mo Mo18 1 0.45892800 0.28301300 0.13004800 1.0 Mo Mo19 1 0.08647100 0.25000000 0.41352900 1.0 Mo Mo20 1 0.86583600 0.19346400 0.00265400 1.0 Mo Mo21 1 0.13004800 0.45892800 0.28301300 1.0 Mo Mo22 1 0.63004800 0.78301300 0.95892800 1.0 Mo Mo23 1 0.49734600 0.30653600 0.63416400 1.0 Mo Mo24 1 0.58647100 0.91352900 0.75000000 1.0 Mo Mo25 1 0.36995200 0.21698700 0.04107200 1.0 Mo Mo26 1 0.80653600 0.99734600 0.13416400 1.0 Mo Mo27 1 0.30653600 0.63416400 0.49734600 1.0 Mo Mo28 1 0.69346400 0.36583600 0.50265400 1.0 Mo Mo29 1 0.75000000 0.58647100 0.91352900 1.0 Mo Mo30 1 0.63416400 0.49734600 0.30653600 1.0 Mo Mo31 1 0.50265400 0.69346400 0.36583600 1.0 Mo Mo32 1 0.86995200 0.54107200 0.71698700 1.0 Mo Mo33 1 0.04107200 0.36995200 0.21698700 1.0 S S34 1 0.25000000 0.95092200 0.54907800 1.0 S S35 1 0.42835900 0.01419900 0.69932700 1.0 S S36 1 0.51419900 0.92835900 0.19932700 1.0 S S37 1 0.79527100 0.20410200 0.45149900 1.0 S S38 1 0.95149900 0.70410200 0.29527100 1.0 S S39 1 0.69932700 0.42835900 0.01419900 1.0 S S40 1 0.32297700 0.32297700 0.32297700 1.0 S S41 1 0.70410200 0.29527100 0.95149900 1.0 S S42 1 0.04907800 0.45092200 0.75000000 1.0 S S43 1 0.92835900 0.19932700 0.51419900 1.0 S S44 1 0.75000000 0.04907800 0.45092200 1.0 S S45 1 0.80067300 0.48580100 0.07164100 1.0 S S46 1 0.82297700 0.82297700 0.82297700 1.0 S S47 1 0.44703600 0.44703600 0.44703600 1.0 S S48 1 0.94703600 0.94703600 0.94703600 1.0 S S49 1 0.29589800 0.70472900 0.04850100 1.0 S S50 1 0.48580100 0.07164100 0.80067300 1.0 S S51 1 0.01419900 0.69932700 0.42835900 1.0 S S52 1 0.79589800 0.54850100 0.20472900 1.0 S S53 1 0.54850100 0.20472900 0.79589800 1.0 S S54 1 0.55296400 0.55296400 0.55296400 1.0 S S55 1 0.05296400 0.05296400 0.05296400 1.0 S S56 1 0.95092200 0.54907800 0.25000000 1.0 S S57 1 0.20410200 0.45149900 0.79527100 1.0 S S58 1 0.04850100 0.29589800 0.70472900 1.0 S S59 1 0.57164100 0.98580100 0.30067300 1.0 S S60 1 0.98580100 0.30067300 0.57164100 1.0 S S61 1 0.20472900 0.79589800 0.54850100 1.0 S S62 1 0.54907800 0.25000000 0.95092200 1.0 S S63 1 0.30067300 0.57164100 0.98580100 1.0 S S64 1 0.67702300 0.67702300 0.67702300 1.0 S S65 1 0.70472900 0.04850100 0.29589800 1.0 S S66 1 0.07164100 0.80067300 0.48580100 1.0 S S67 1 0.17702300 0.17702300 0.17702300 1.0 S S68 1 0.19932700 0.51419900 0.92835900 1.0 S S69 1 0.29527100 0.95149900 0.70410200 1.0 S S70 1 0.45092200 0.75000000 0.04907800 1.0 S S71 1 0.45149900 0.79527100 0.20410200 1.0