# generated using pymatgen data_Lu8Mn(B8Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55440136 _cell_length_b 9.01195229 _cell_length_c 11.35217181 _cell_angle_alpha 89.96718970 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu8Mn(B8Ir)3 _chemical_formula_sum 'Lu8 Mn1 B24 Ir3' _cell_volume 363.63379128 _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 0.00000000 0.32612030 0.41187096 1.0 Lu Lu1 1 0.00000000 0.67914481 0.57958084 1.0 Lu Lu2 1 0.00000000 0.81419972 0.09176451 1.0 Lu Lu3 1 0.00000000 0.18093349 0.91452595 1.0 Lu Lu4 1 0.00000000 0.93864339 0.37417892 1.0 Lu Lu5 1 0.00000000 0.05597927 0.62453722 1.0 Lu Lu6 1 0.00000000 0.44859155 0.12906632 1.0 Lu Lu7 1 0.00000000 0.55617077 0.87487136 1.0 Mn Mn8 1 0.00000000 0.63822176 0.32038951 1.0 B B9 1 0.50000000 0.55405216 0.43212186 1.0 B B10 1 0.50000000 0.44744094 0.56437639 1.0 B B11 1 0.50000000 0.05286299 0.06585496 1.0 B B12 1 0.50000000 0.94613307 0.93543884 1.0 B B13 1 0.50000000 0.74656053 0.41812777 1.0 B B14 1 0.50000000 0.25092191 0.57746137 1.0 B B15 1 0.50000000 0.25106167 0.07949230 1.0 B B16 1 0.50000000 0.74980222 0.92224846 1.0 B B17 1 0.50000000 0.79064410 0.26611778 1.0 B B18 1 0.50000000 0.20678808 0.73568598 1.0 B B19 1 0.50000000 0.29374633 0.23509066 1.0 B B20 1 0.50000000 0.70712878 0.76437210 1.0 B B21 1 0.50000000 0.63129303 0.18657626 1.0 B B22 1 0.50000000 0.36807137 0.81736621 1.0 B B23 1 0.50000000 0.13126921 0.31659394 1.0 B B24 1 0.50000000 0.86849945 0.68244957 1.0 B B25 1 0.50000000 0.97991974 0.21385794 1.0 B B26 1 0.50000000 0.01949213 0.78611105 1.0 B B27 1 0.50000000 0.48405208 0.28778113 1.0 B B28 1 0.50000000 0.52001021 0.71263837 1.0 B B29 1 0.50000000 0.60748378 0.02982332 1.0 B B30 1 0.50000000 0.39281216 0.97080601 1.0 B B31 1 0.50000000 0.10854523 0.46985052 1.0 B B32 1 0.50000000 0.89124514 0.52971205 1.0 Ir Ir33 1 0.00000000 0.36221676 0.67908854 1.0 Ir Ir34 1 0.00000000 0.13769931 0.17850999 1.0 Ir Ir35 1 0.00000000 0.86224656 0.82166204 1.0