# generated using pymatgen data_Lu4Sc16(Bi3Te)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74434761 _cell_length_b 8.93979354 _cell_length_c 11.43313951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.07358602 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4Sc16(Bi3Te)3 _chemical_formula_sum 'Lu4 Sc16 Bi9 Te3' _cell_volume 791.54839364 _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 Lu Lu0 1 0.18026094 0.25000000 0.78222223 1.0 Lu Lu1 1 0.82417090 0.75000000 0.21440073 1.0 Lu Lu2 1 0.32425532 0.75000000 0.28615508 1.0 Lu Lu3 1 0.67628030 0.25000000 0.71451910 1.0 Sc Sc4 1 0.01740519 0.25000000 0.50879263 1.0 Sc Sc5 1 0.98185222 0.75000000 0.49036853 1.0 Sc Sc6 1 0.48061070 0.75000000 0.01016337 1.0 Sc Sc7 1 0.51780659 0.25000000 0.99139745 1.0 Sc Sc8 1 0.35415481 0.25000000 0.28342181 1.0 Sc Sc9 1 0.64623784 0.75000000 0.71652515 1.0 Sc Sc10 1 0.14639392 0.75000000 0.78191960 1.0 Sc Sc11 1 0.85049031 0.25000000 0.22072604 1.0 Sc Sc12 1 0.19123502 0.06442605 0.06093714 1.0 Sc Sc13 1 0.80983765 0.93028542 0.93921485 1.0 Sc Sc14 1 0.31194020 0.93295110 0.56003042 1.0 Sc Sc15 1 0.80983765 0.56971458 0.93921485 1.0 Sc Sc16 1 0.68753785 0.06635900 0.44033003 1.0 Sc Sc17 1 0.19123502 0.43557395 0.06093714 1.0 Sc Sc18 1 0.68753785 0.43364100 0.44033003 1.0 Sc Sc19 1 0.31194020 0.56704890 0.56003042 1.0 Bi Bi20 1 0.90084870 0.25000000 0.96460197 1.0 Bi Bi21 1 0.06693010 0.00636894 0.32718630 1.0 Bi Bi22 1 0.93254880 0.99347126 0.67136623 1.0 Bi Bi23 1 0.43263460 0.99305438 0.82770347 1.0 Bi Bi24 1 0.93254880 0.50652874 0.67136623 1.0 Bi Bi25 1 0.56670690 0.00618888 0.17319367 1.0 Bi Bi26 1 0.06693010 0.49363106 0.32718630 1.0 Bi Bi27 1 0.56670690 0.49381112 0.17319367 1.0 Bi Bi28 1 0.43263460 0.50694562 0.82770347 1.0 Te Te29 1 0.39963554 0.25000000 0.53504625 1.0 Te Te30 1 0.60054098 0.75000000 0.46498661 1.0 Te Te31 1 0.10031849 0.75000000 0.03483126 1.0