# generated using pymatgen data_Cs3Te22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.66967100 _cell_length_b 9.68943086 _cell_length_c 12.44682756 _cell_angle_alpha 112.77679635 _cell_angle_beta 112.79169781 _cell_angle_gamma 89.86260610 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3Te22 _chemical_formula_sum 'Cs3 Te22' _cell_volume 976.23924685 _cell_formula_units_Z 1 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 0.17845800 0.17559300 0.35017400 1.0 Cs Cs1 1 0.82708800 0.82916900 0.65134600 1.0 Cs Cs2 1 0.50098000 0.50269000 0.00203800 1.0 Te Te3 1 0.89628200 0.80577600 0.99984700 1.0 Te Te4 1 0.09797600 0.52939000 0.76791000 1.0 Te Te5 1 0.23925500 0.09804800 0.76649700 1.0 Te Te6 1 0.00901100 0.21357500 0.61587200 1.0 Te Te7 1 0.32690500 0.75874200 0.23074600 1.0 Te Te8 1 0.99097400 0.78987500 0.38449900 1.0 Te Te9 1 0.66987000 0.24173700 0.76756700 1.0 Te Te10 1 0.47442200 0.32930900 0.23235900 1.0 Te Te11 1 0.80791700 0.10093100 0.00177900 1.0 Te Te12 1 0.52668700 0.66982400 0.76544000 1.0 Te Te13 1 0.75982700 0.90445900 0.23378200 1.0 Te Te14 1 0.90499200 0.47454900 0.23243500 1.0 Te Te15 1 0.40785300 0.00898000 0.61698400 1.0 Te Te16 1 0.59069200 0.99078800 0.38342700 1.0 Te Te17 1 0.20898000 0.60688700 0.61441700 1.0 Te Te18 1 0.19568000 0.89843500 0.00082800 1.0 Te Te19 1 0.60980600 0.40732600 0.61588500 1.0 Te Te20 1 0.00036200 0.50047100 0.00174500 1.0 Te Te21 1 0.79123500 0.39449300 0.38507300 1.0 Te Te22 1 0.10044400 0.19341400 0.00003200 1.0 Te Te23 1 0.49758100 0.00052500 0.00325300 1.0 Te Te24 1 0.39276400 0.59349500 0.38311500 1.0