# generated using pymatgen data_Lu8TaTi11Ge16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06633288 _cell_length_b 7.06633349 _cell_length_c 12.95832938 _cell_angle_alpha 90.00561734 _cell_angle_beta 89.99438433 _cell_angle_gamma 90.04836801 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu8TaTi11Ge16 _chemical_formula_sum 'Lu8 Ta1 Ti11 Ge16' _cell_volume 647.04886250 _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 0.33868120 0.99764750 0.46887839 1.0 Lu Lu1 1 0.50220774 0.83786409 0.71908912 1.0 Lu Lu2 1 0.49714230 0.16130160 0.21814133 1.0 Lu Lu3 1 0.83786409 0.50220774 0.28091088 1.0 Lu Lu4 1 0.16130160 0.49714230 0.78185867 1.0 Lu Lu5 1 0.66099593 0.00237582 0.96936807 1.0 Lu Lu6 1 0.99764750 0.33868120 0.53112161 1.0 Lu Lu7 1 0.00237582 0.66099593 0.03063193 1.0 Ta Ta8 1 0.33083021 0.33083021 1.00000000 1.0 Ti Ti9 1 0.16850131 0.83135791 0.24990385 1.0 Ti Ti10 1 0.83135791 0.16850131 0.75009615 1.0 Ti Ti11 1 0.66809741 0.66809741 0.50000000 1.0 Ti Ti12 1 0.16020386 0.00911145 0.87551298 1.0 Ti Ti13 1 0.49327706 0.65791017 0.12302185 1.0 Ti Ti14 1 0.50740221 0.34162402 0.62400295 1.0 Ti Ti15 1 0.65791017 0.49327706 0.87697815 1.0 Ti Ti16 1 0.34162402 0.50740221 0.37599705 1.0 Ti Ti17 1 0.84045511 0.99313152 0.37454128 1.0 Ti Ti18 1 0.00911145 0.16020386 0.12448702 1.0 Ti Ti19 1 0.99313152 0.84045511 0.62545872 1.0 Ge Ge20 1 0.19913164 0.12725825 0.67679686 1.0 Ge Ge21 1 0.37226435 0.70044550 0.92638185 1.0 Ge Ge22 1 0.62779369 0.30121629 0.42651623 1.0 Ge Ge23 1 0.70044550 0.37226435 0.07361815 1.0 Ge Ge24 1 0.30121629 0.62779369 0.57348377 1.0 Ge Ge25 1 0.80140531 0.87280860 0.17686278 1.0 Ge Ge26 1 0.12725825 0.19913164 0.32320314 1.0 Ge Ge27 1 0.87280860 0.80140531 0.82313722 1.0 Ge Ge28 1 0.29374302 0.96223987 0.06747162 1.0 Ge Ge29 1 0.53530397 0.79374294 0.31704994 1.0 Ge Ge30 1 0.46586227 0.20540797 0.81620668 1.0 Ge Ge31 1 0.79374294 0.53530397 0.68295006 1.0 Ge Ge32 1 0.20540797 0.46586227 0.18379332 1.0 Ge Ge33 1 0.70640184 0.03485208 0.56743285 1.0 Ge Ge34 1 0.96223987 0.29374302 0.93252838 1.0 Ge Ge35 1 0.03485208 0.70640184 0.43256715 1.0