# generated using pymatgen data_Sc5Te6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.95839155 _cell_length_b 8.36150699 _cell_length_c 9.89408944 _cell_angle_alpha 90.03766627 _cell_angle_beta 104.45253241 _cell_angle_gamma 105.33857521 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Te6 _chemical_formula_sum 'Sc10 Te12' _cell_volume 613.27939119 _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 Sc Sc0 1 0.66910223 0.43032102 0.17199995 1.0 Sc Sc1 1 0.99286427 0.75127211 0.49472529 1.0 Sc Sc2 1 0.32450468 0.09283510 0.82484604 1.0 Sc Sc3 1 0.67549532 0.90716490 0.17515396 1.0 Sc Sc4 1 0.00713573 0.24872789 0.50527471 1.0 Sc Sc5 1 0.33089777 0.56967898 0.82800005 1.0 Sc Sc6 1 0.00000000 0.50000000 0.00000000 1.0 Sc Sc7 1 0.33875353 0.83383771 0.33254980 1.0 Sc Sc8 1 0.66124647 0.16616229 0.66745020 1.0 Sc Sc9 1 0.00000000 0.00000000 0.00000000 1.0 Te Te10 1 0.72190490 0.67999007 0.96675034 1.0 Te Te11 1 0.06581406 0.01831017 0.30671990 1.0 Te Te12 1 0.39215778 0.34968281 0.63250902 1.0 Te Te13 1 0.60784222 0.65031719 0.36749098 1.0 Te Te14 1 0.93418594 0.98168983 0.69328010 1.0 Te Te15 1 0.27809510 0.32000993 0.03324966 1.0 Te Te16 1 0.71805703 0.18028097 0.97526009 1.0 Te Te17 1 0.05826710 0.51375875 0.30701013 1.0 Te Te18 1 0.38382906 0.84539857 0.64007343 1.0 Te Te19 1 0.61617094 0.15460143 0.35992657 1.0 Te Te20 1 0.94173290 0.48624125 0.69298987 1.0 Te Te21 1 0.28194297 0.81971903 0.02473991 1.0