# generated using pymatgen data_Cs3Te17Mo15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.42707712 _cell_length_b 10.42707712 _cell_length_c 21.85103700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000713 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3Te17Mo15 _chemical_formula_sum 'Cs6 Te34 Mo30' _cell_volume 2057.44305804 _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 0.00000000 0.00000000 0.86045000 1.0 Cs Cs1 1 0.33333300 0.66666700 0.25000000 1.0 Cs Cs2 1 0.00000000 0.00000000 0.63955000 1.0 Cs Cs3 1 0.00000000 0.00000000 0.13955000 1.0 Cs Cs4 1 0.66666700 0.33333300 0.75000000 1.0 Cs Cs5 1 0.00000000 0.00000000 0.36045000 1.0 Te Te6 1 0.62479800 0.63216800 0.64295800 1.0 Te Te7 1 0.99262900 0.62479800 0.14295800 1.0 Te Te8 1 0.37520200 0.36783200 0.14295800 1.0 Te Te9 1 0.66284500 0.96120400 0.95740900 1.0 Te Te10 1 0.29835900 0.33715500 0.54259100 1.0 Te Te11 1 0.04056200 0.70543500 0.75000000 1.0 Te Te12 1 0.66666700 0.33333300 0.56586700 1.0 Te Te13 1 0.63216800 0.00737100 0.35704200 1.0 Te Te14 1 0.37520200 0.36783200 0.35704200 1.0 Te Te15 1 0.00737100 0.37520200 0.64295800 1.0 Te Te16 1 0.03879600 0.70164100 0.54259100 1.0 Te Te17 1 0.29835900 0.33715500 0.95740900 1.0 Te Te18 1 0.95943800 0.29456500 0.25000000 1.0 Te Te19 1 0.36783200 0.99262900 0.64295800 1.0 Te Te20 1 0.70543500 0.66487300 0.25000000 1.0 Te Te21 1 0.33715500 0.03879600 0.04259100 1.0 Te Te22 1 0.99262900 0.62479800 0.35704200 1.0 Te Te23 1 0.36783200 0.99262900 0.85704200 1.0 Te Te24 1 0.66487300 0.95943800 0.75000000 1.0 Te Te25 1 0.96120400 0.29835900 0.04259100 1.0 Te Te26 1 0.33715500 0.03879600 0.45740900 1.0 Te Te27 1 0.03879600 0.70164100 0.95740900 1.0 Te Te28 1 0.33333300 0.66666700 0.06586700 1.0 Te Te29 1 0.33512700 0.04056200 0.25000000 1.0 Te Te30 1 0.96120400 0.29835900 0.45740900 1.0 Te Te31 1 0.33333300 0.66666700 0.43413300 1.0 Te Te32 1 0.66666700 0.33333300 0.93413300 1.0 Te Te33 1 0.63216800 0.00737100 0.14295800 1.0 Te Te34 1 0.66284500 0.96120400 0.54259100 1.0 Te Te35 1 0.29456500 0.33512700 0.75000000 1.0 Te Te36 1 0.00737100 0.37520200 0.85704200 1.0 Te Te37 1 0.70164100 0.66284500 0.45740900 1.0 Te Te38 1 0.62479800 0.63216800 0.85704200 1.0 Te Te39 1 0.70164100 0.66284500 0.04259100 1.0 Mo Mo40 1 0.31843700 0.51012600 0.64329500 1.0 Mo Mo41 1 0.48987400 0.80831100 0.64329500 1.0 Mo Mo42 1 0.35053000 0.82129300 0.75000000 1.0 Mo Mo43 1 0.64947000 0.17870700 0.25000000 1.0 Mo Mo44 1 0.52923800 0.35053000 0.25000000 1.0 Mo Mo45 1 0.19168900 0.68156300 0.85670500 1.0 Mo Mo46 1 0.51012600 0.19168900 0.14329500 1.0 Mo Mo47 1 0.35213900 0.82281600 0.53803600 1.0 Mo Mo48 1 0.68156300 0.48987400 0.14329500 1.0 Mo Mo49 1 0.17718400 0.52932300 0.53803600 1.0 Mo Mo50 1 0.52932300 0.35213900 0.03803600 1.0 Mo Mo51 1 0.47076200 0.64947000 0.75000000 1.0 Mo Mo52 1 0.47067700 0.64786100 0.96196400 1.0 Mo Mo53 1 0.52932300 0.35213900 0.46196400 1.0 Mo Mo54 1 0.64786100 0.17718400 0.46196400 1.0 Mo Mo55 1 0.80831100 0.31843700 0.14329500 1.0 Mo Mo56 1 0.82281600 0.47067700 0.03803600 1.0 Mo Mo57 1 0.82129300 0.47076200 0.25000000 1.0 Mo Mo58 1 0.68156300 0.48987400 0.35670500 1.0 Mo Mo59 1 0.47067700 0.64786100 0.53803600 1.0 Mo Mo60 1 0.51012600 0.19168900 0.35670500 1.0 Mo Mo61 1 0.80831100 0.31843700 0.35670500 1.0 Mo Mo62 1 0.17718400 0.52932300 0.96196400 1.0 Mo Mo63 1 0.64786100 0.17718400 0.03803600 1.0 Mo Mo64 1 0.48987400 0.80831100 0.85670500 1.0 Mo Mo65 1 0.35213900 0.82281600 0.96196400 1.0 Mo Mo66 1 0.17870700 0.52923800 0.75000000 1.0 Mo Mo67 1 0.82281600 0.47067700 0.46196400 1.0 Mo Mo68 1 0.19168900 0.68156300 0.64329500 1.0 Mo Mo69 1 0.31843700 0.51012600 0.85670500 1.0