# generated using pymatgen data_Sb2Te4Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66612500 _cell_length_b 6.67154203 _cell_length_c 19.97564557 _cell_angle_alpha 89.81280580 _cell_angle_beta 89.54041602 _cell_angle_gamma 89.81700474 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2Te4Pd3 _chemical_formula_sum 'Sb8 Te16 Pd12' _cell_volume 888.34576142 _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 Sb Sb0 1 0.36921200 0.87409000 0.70987600 1.0 Sb Sb1 1 0.36890400 0.87350000 0.37692200 1.0 Sb Sb2 1 0.36785300 0.87204800 0.04282000 1.0 Sb Sb3 1 0.12968700 0.36989000 0.95750800 1.0 Sb Sb4 1 0.13064300 0.36876900 0.62454400 1.0 Sb Sb5 1 0.13274500 0.37067700 0.29146400 1.0 Sb Sb6 1 0.87397600 0.12988900 0.78968200 1.0 Sb Sb7 1 0.87355700 0.13183600 0.45635600 1.0 Te Te8 1 0.87242300 0.13189000 0.12265300 1.0 Te Te9 1 0.63110200 0.63172900 0.87652800 1.0 Te Te10 1 0.63079900 0.63123300 0.54373500 1.0 Te Te11 1 0.62972400 0.63174300 0.21077900 1.0 Te Te12 1 0.62272900 0.12365000 0.95771300 1.0 Te Te13 1 0.62475600 0.12403000 0.62491600 1.0 Te Te14 1 0.62365500 0.12295600 0.29187200 1.0 Te Te15 1 0.87449800 0.62383900 0.70812400 1.0 Te Te16 1 0.87575100 0.62321300 0.37476900 1.0 Te Te17 1 0.87315200 0.62277800 0.04124900 1.0 Te Te18 1 0.12353600 0.87425800 0.87475400 1.0 Te Te19 1 0.12225300 0.87584500 0.54119800 1.0 Te Te20 1 0.12524700 0.87100400 0.20838200 1.0 Te Te21 1 0.37406500 0.37336700 0.79159500 1.0 Te Te22 1 0.37304300 0.37250100 0.45790500 1.0 Te Te23 1 0.37455500 0.37218100 0.12394100 1.0 Pd Pd24 1 0.00243100 0.49584000 0.83343400 1.0 Pd Pd25 1 0.00161400 0.49645700 0.50061100 1.0 Pd Pd26 1 0.00457500 0.49988700 0.16769400 1.0 Pd Pd27 1 0.50038900 0.00151000 0.83173800 1.0 Pd Pd28 1 0.50066600 0.00225500 0.49905500 1.0 Pd Pd29 1 0.49720200 0.00009500 0.16557300 1.0 Pd Pd30 1 0.49596300 0.50086100 0.66740100 1.0 Pd Pd31 1 0.49697700 0.50077100 0.33434500 1.0 Pd Pd32 1 0.49530600 0.50124200 0.00001400 1.0 Pd Pd33 1 0.00231400 0.00076400 0.99969600 1.0 Pd Pd34 1 0.00237800 0.00170000 0.66753000 1.0 Pd Pd35 1 0.00232200 0.00170300 0.33362700 1.0