# generated using pymatgen data_Lu2Re2B4Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05973174 _cell_length_b 8.62754466 _cell_length_c 10.09441626 _cell_angle_alpha 89.99988758 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Re2B4Ru3 _chemical_formula_sum 'Lu4 Re4 B8 Ru6' _cell_volume 266.47212055 _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 0.50000000 0.84203456 0.18198549 1.0 Lu Lu1 1 0.50000000 0.15796544 0.81801451 1.0 Lu Lu2 1 0.50000000 0.65796066 0.68200095 1.0 Lu Lu3 1 0.50000000 0.34203934 0.31799905 1.0 Re Re4 1 0.00000000 0.65870429 0.95414729 1.0 Re Re5 1 0.00000000 0.34129571 0.04585271 1.0 Re Re6 1 0.00000000 0.84128162 0.45414078 1.0 Re Re7 1 0.00000000 0.15871838 0.54585922 1.0 B B8 1 0.50000000 0.96530142 0.58903563 1.0 B B9 1 0.50000000 0.03469858 0.41096437 1.0 B B10 1 0.50000000 0.84762172 0.90245324 1.0 B B11 1 0.50000000 0.15237828 0.09754676 1.0 B B12 1 0.50000000 0.65237772 0.40245164 1.0 B B13 1 0.50000000 0.34762228 0.59754836 1.0 B B14 1 0.50000000 0.46531590 0.91096078 1.0 B B15 1 0.50000000 0.53468410 0.08903922 1.0 Ru Ru16 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru17 1 0.00000000 0.40480459 0.75925114 1.0 Ru Ru18 1 0.00000000 0.59519541 0.24074886 1.0 Ru Ru19 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru20 1 0.00000000 0.90480183 0.74074033 1.0 Ru Ru21 1 0.00000000 0.09519817 0.25925967 1.0