# generated using pymatgen data_Lu4Ta5ReSi8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90277080 _cell_length_b 6.90442072 _cell_length_c 12.76459932 _cell_angle_alpha 89.82729748 _cell_angle_beta 90.20603194 _cell_angle_gamma 90.00083625 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4Ta5ReSi8 _chemical_formula_sum 'Lu8 Ta10 Re2 Si16' _cell_volume 608.34943166 _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 Lu Lu0 1 0.00290688 0.66039872 0.02963609 1.0 Lu Lu1 1 0.00039642 0.33761608 0.53273806 1.0 Lu Lu2 1 0.33970845 0.99903127 0.46755379 1.0 Lu Lu3 1 0.16213457 0.49811368 0.78286353 1.0 Lu Lu4 1 0.83859622 0.50037899 0.27985640 1.0 Lu Lu5 1 0.49922774 0.16141393 0.21736957 1.0 Lu Lu6 1 0.50083725 0.83995967 0.72022716 1.0 Lu Lu7 1 0.65959608 0.00052002 0.97012997 1.0 Ta Ta8 1 0.66930640 0.66810828 0.49933891 1.0 Ta Ta9 1 0.16618007 0.82902051 0.24862181 1.0 Ta Ta10 1 0.33102283 0.33289200 0.00017250 1.0 Ta Ta11 1 0.99486607 0.84582559 0.62674102 1.0 Ta Ta12 1 0.00308497 0.15533449 0.12639257 1.0 Ta Ta13 1 0.84293877 0.99039350 0.37183711 1.0 Ta Ta14 1 0.34505391 0.50477436 0.37619332 1.0 Ta Ta15 1 0.65457906 0.49568433 0.87646704 1.0 Ta Ta16 1 0.50545681 0.34388648 0.62539211 1.0 Ta Ta17 1 0.83155527 0.16742312 0.75108519 1.0 Re Re18 1 0.49064401 0.66223828 0.12193426 1.0 Re Re19 1 0.16260620 0.00102281 0.87475454 1.0 Si Si20 1 0.04217732 0.70123170 0.43677882 1.0 Si Si21 1 0.63518616 0.29408824 0.43063019 1.0 Si Si22 1 0.36782947 0.70816941 0.93095032 1.0 Si Si23 1 0.20436608 0.13205898 0.68345825 1.0 Si Si24 1 0.29621576 0.63487859 0.57005578 1.0 Si Si25 1 0.70166684 0.37508592 0.06908372 1.0 Si Si26 1 0.78859672 0.86425750 0.17802954 1.0 Si Si27 1 0.13241601 0.20518155 0.31872650 1.0 Si Si28 1 0.96182769 0.29003431 0.93668284 1.0 Si Si29 1 0.70222525 0.04127581 0.56333015 1.0 Si Si30 1 0.20712847 0.46094599 0.18629833 1.0 Si Si31 1 0.79775008 0.54241646 0.68728505 1.0 Si Si32 1 0.45579334 0.20207301 0.81536218 1.0 Si Si33 1 0.53834208 0.79603942 0.31075679 1.0 Si Si34 1 0.29545123 0.95904041 0.06263859 1.0 Si Si35 1 0.87233051 0.79918558 0.82062500 1.0