# generated using pymatgen data_Lu8Ti9Si16W3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90020703 _cell_length_b 6.90020726 _cell_length_c 12.69756532 _cell_angle_alpha 89.99433094 _cell_angle_beta 90.00567238 _cell_angle_gamma 89.96404660 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu8Ti9Si16W3 _chemical_formula_sum 'Lu8 Ti9 Si16 W3' _cell_volume 604.56725740 _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 0.33946462 0.99974503 0.46664124 1.0 Lu Lu1 1 0.49987314 0.84143759 0.71849297 1.0 Lu Lu2 1 0.49799901 0.15852298 0.21648097 1.0 Lu Lu3 1 0.84143759 0.49987314 0.28150703 1.0 Lu Lu4 1 0.15852298 0.49799901 0.78351903 1.0 Lu Lu5 1 0.66019833 0.00213335 0.96702359 1.0 Lu Lu6 1 0.99974503 0.33946462 0.53335876 1.0 Lu Lu7 1 0.00213335 0.66019833 0.03297641 1.0 Ti Ti8 1 0.67192776 0.67192776 0.50000000 1.0 Ti Ti9 1 0.15168468 0.00846690 0.87567593 1.0 Ti Ti10 1 0.49145063 0.65285036 0.12532959 1.0 Ti Ti11 1 0.50805830 0.34727889 0.62767228 1.0 Ti Ti12 1 0.65285036 0.49145063 0.87467041 1.0 Ti Ti13 1 0.34727889 0.50805830 0.37232772 1.0 Ti Ti14 1 0.84937201 0.99221449 0.37487012 1.0 Ti Ti15 1 0.00846690 0.15168468 0.12432407 1.0 Ti Ti16 1 0.99221449 0.84937201 0.62512988 1.0 Si Si17 1 0.20254960 0.13218862 0.68280026 1.0 Si Si18 1 0.36847124 0.70167483 0.93279022 1.0 Si Si19 1 0.63264008 0.29720560 0.43328383 1.0 Si Si20 1 0.70167483 0.36847124 0.06720978 1.0 Si Si21 1 0.29720560 0.63264008 0.56671617 1.0 Si Si22 1 0.79744177 0.86766555 0.18288197 1.0 Si Si23 1 0.13218862 0.20254960 0.31719974 1.0 Si Si24 1 0.86766555 0.79744177 0.81711803 1.0 Si Si25 1 0.29388606 0.95410994 0.06400733 1.0 Si Si26 1 0.54613086 0.79331940 0.31436850 1.0 Si Si27 1 0.45312772 0.20654186 0.81523895 1.0 Si Si28 1 0.79331940 0.54613086 0.68563150 1.0 Si Si29 1 0.20654186 0.45312772 0.18476105 1.0 Si Si30 1 0.70527180 0.04700021 0.56555985 1.0 Si Si31 1 0.95410994 0.29388606 0.93599267 1.0 Si Si32 1 0.04700021 0.70527180 0.43444015 1.0 W W33 1 0.32723097 0.32723097 1.00000000 1.0 W W34 1 0.17332658 0.82754325 0.24876919 1.0 W W35 1 0.82754325 0.17332658 0.75123081 1.0