# generated using pymatgen data_Cs3Te13Mo12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.92047617 _cell_length_b 18.92047617 _cell_length_c 18.92047572 _cell_angle_alpha 32.24138468 _cell_angle_beta 32.24138468 _cell_angle_gamma 32.24138426 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3Te13Mo12 _chemical_formula_sum 'Cs6 Te26 Mo24' _cell_volume 1713.42237248 _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 0.26601600 0.26601600 0.26601600 1.0 Cs Cs1 1 0.73398400 0.73398400 0.73398400 1.0 Cs Cs2 1 0.35498700 0.35498700 0.35498700 1.0 Cs Cs3 1 0.64501300 0.64501300 0.64501300 1.0 Cs Cs4 1 0.44344900 0.44344900 0.44344900 1.0 Cs Cs5 1 0.55655100 0.55655100 0.55655100 1.0 Te Te6 1 0.44206600 0.18348600 0.82228200 1.0 Te Te7 1 0.18348600 0.82228200 0.44206600 1.0 Te Te8 1 0.82228200 0.44206600 0.18348600 1.0 Te Te9 1 0.55793400 0.81651400 0.17771800 1.0 Te Te10 1 0.81651400 0.17771800 0.55793400 1.0 Te Te11 1 0.17771800 0.55793400 0.81651400 1.0 Te Te12 1 0.43176500 0.81921300 0.07405000 1.0 Te Te13 1 0.81921300 0.07405000 0.43176500 1.0 Te Te14 1 0.07405000 0.43176500 0.81921300 1.0 Te Te15 1 0.56823500 0.18078700 0.92595000 1.0 Te Te16 1 0.18078700 0.92595000 0.56823500 1.0 Te Te17 1 0.92595000 0.56823500 0.18078700 1.0 Te Te18 1 0.35286900 0.10510200 0.73520100 1.0 Te Te19 1 0.10510200 0.73520100 0.35286900 1.0 Te Te20 1 0.73520100 0.35286900 0.10510200 1.0 Te Te21 1 0.64713100 0.89489800 0.26479900 1.0 Te Te22 1 0.89489800 0.26479900 0.64713100 1.0 Te Te23 1 0.26479900 0.64713100 0.89489800 1.0 Te Te24 1 0.35123000 0.73484100 0.97935200 1.0 Te Te25 1 0.73484100 0.97935200 0.35123000 1.0 Te Te26 1 0.97935200 0.35123000 0.73484100 1.0 Te Te27 1 0.64877000 0.26515900 0.02064800 1.0 Te Te28 1 0.26515900 0.02064800 0.64877000 1.0 Te Te29 1 0.02064800 0.64877000 0.26515900 1.0 Te Te30 1 0.19317000 0.19317000 0.19317000 1.0 Te Te31 1 0.80683000 0.80683000 0.80683000 1.0 Mo Mo32 1 0.30537800 0.01442200 0.13326100 1.0 Mo Mo33 1 0.01442200 0.13326100 0.30537800 1.0 Mo Mo34 1 0.13326100 0.30537800 0.01442200 1.0 Mo Mo35 1 0.69462200 0.98557800 0.86673900 1.0 Mo Mo36 1 0.98557800 0.86673900 0.69462200 1.0 Mo Mo37 1 0.86673900 0.69462200 0.98557800 1.0 Mo Mo38 1 0.24843900 0.12325300 0.95236000 1.0 Mo Mo39 1 0.12325300 0.95236000 0.24843900 1.0 Mo Mo40 1 0.95236000 0.24843900 0.12325300 1.0 Mo Mo41 1 0.75156100 0.87674700 0.04764000 1.0 Mo Mo42 1 0.87674700 0.04764000 0.75156100 1.0 Mo Mo43 1 0.04764000 0.75156100 0.87674700 1.0 Mo Mo44 1 0.21968400 0.92890800 0.04662900 1.0 Mo Mo45 1 0.92890800 0.04662900 0.21968400 1.0 Mo Mo46 1 0.04662900 0.21968400 0.92890800 1.0 Mo Mo47 1 0.78031600 0.07109200 0.95337100 1.0 Mo Mo48 1 0.07109200 0.95337100 0.78031600 1.0 Mo Mo49 1 0.95337100 0.78031600 0.07109200 1.0 Mo Mo50 1 0.15715800 0.04090300 0.86578300 1.0 Mo Mo51 1 0.04090300 0.86578300 0.15715800 1.0 Mo Mo52 1 0.86578300 0.15715800 0.04090300 1.0 Mo Mo53 1 0.84284200 0.95909700 0.13421700 1.0 Mo Mo54 1 0.95909700 0.13421700 0.84284200 1.0 Mo Mo55 1 0.13421700 0.84284200 0.95909700 1.0