# generated using pymatgen data_Lu3Zr5(Ta3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88653019 _cell_length_b 6.88577276 _cell_length_c 12.71599863 _cell_angle_alpha 89.95986521 _cell_angle_beta 90.05432004 _cell_angle_gamma 89.85502502 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Zr5(Ta3Si4)4 _chemical_formula_sum 'Lu3 Zr5 Ta12 Si16' _cell_volume 602.97863203 _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 0.99889904 0.66023354 0.03092712 1.0 Lu Lu1 1 0.00204343 0.33816218 0.53028291 1.0 Lu Lu2 1 0.66061793 0.99893871 0.96905426 1.0 Zr Zr3 1 0.16052457 0.49785448 0.78117062 1.0 Zr Zr4 1 0.84005211 0.50206772 0.28260275 1.0 Zr Zr5 1 0.49771168 0.16071309 0.21903296 1.0 Zr Zr6 1 0.50240963 0.84024362 0.71809647 1.0 Zr Zr7 1 0.34212608 0.99727460 0.46835451 1.0 Ta Ta8 1 0.34740802 0.50590706 0.37600874 1.0 Ta Ta9 1 0.84578875 0.99634275 0.37340273 1.0 Ta Ta10 1 0.00536991 0.15338982 0.12792203 1.0 Ta Ta11 1 0.99531225 0.84814573 0.62612281 1.0 Ta Ta12 1 0.65163360 0.49452557 0.87490402 1.0 Ta Ta13 1 0.50395661 0.34834076 0.62382997 1.0 Ta Ta14 1 0.49441411 0.65144999 0.12528604 1.0 Ta Ta15 1 0.15394303 0.00474526 0.87221313 1.0 Ta Ta16 1 0.66845722 0.67225970 0.50016086 1.0 Ta Ta17 1 0.83042638 0.16948323 0.74937296 1.0 Ta Ta18 1 0.16999449 0.83082634 0.25088584 1.0 Ta Ta19 1 0.32963355 0.32946242 0.00002279 1.0 Si Si20 1 0.04445224 0.70390516 0.43682248 1.0 Si Si21 1 0.95582944 0.29681906 0.93659077 1.0 Si Si22 1 0.70160145 0.04576822 0.56323937 1.0 Si Si23 1 0.20120598 0.45580898 0.18692504 1.0 Si Si24 1 0.79878649 0.54387109 0.68608062 1.0 Si Si25 1 0.45610975 0.20118541 0.81332541 1.0 Si Si26 1 0.54425247 0.79855790 0.31353314 1.0 Si Si27 1 0.29734352 0.95570323 0.06348970 1.0 Si Si28 1 0.86592809 0.79126556 0.81983575 1.0 Si Si29 1 0.13551854 0.20769695 0.32163003 1.0 Si Si30 1 0.79158244 0.86567871 0.18028950 1.0 Si Si31 1 0.29350830 0.63726212 0.57219773 1.0 Si Si32 1 0.70554253 0.36387007 0.07221346 1.0 Si Si33 1 0.63374120 0.29329932 0.42749806 1.0 Si Si34 1 0.36392295 0.70499899 0.92798730 1.0 Si Si35 1 0.20995019 0.13394468 0.67868913 1.0