# generated using pymatgen data_TbMg3(B6Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50960886 _cell_length_b 8.87080415 _cell_length_c 11.13090347 _cell_angle_alpha 89.73889056 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbMg3(B6Ru)2 _chemical_formula_sum 'Tb2 Mg6 B24 Ru4' _cell_volume 346.53540709 _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 Tb Tb0 1 0.00000000 0.32278553 0.41315324 1.0 Tb Tb1 1 0.00000000 0.67721447 0.58684676 1.0 Mg Mg2 1 0.00000000 0.83147623 0.08455919 1.0 Mg Mg3 1 0.00000000 0.16852377 0.91544081 1.0 Mg Mg4 1 0.00000000 0.94508518 0.36797912 1.0 Mg Mg5 1 0.00000000 0.05491482 0.63202088 1.0 Mg Mg6 1 0.00000000 0.44469236 0.12548526 1.0 Mg Mg7 1 0.00000000 0.55530764 0.87451474 1.0 B B8 1 0.50000000 0.55662549 0.43084189 1.0 B B9 1 0.50000000 0.44337451 0.56915811 1.0 B B10 1 0.50000000 0.05466105 0.06382387 1.0 B B11 1 0.50000000 0.94533895 0.93617613 1.0 B B12 1 0.50000000 0.75656595 0.41528658 1.0 B B13 1 0.50000000 0.24343405 0.58471342 1.0 B B14 1 0.50000000 0.25569763 0.07781982 1.0 B B15 1 0.50000000 0.74430237 0.92218018 1.0 B B16 1 0.50000000 0.79727384 0.25887722 1.0 B B17 1 0.50000000 0.20272616 0.74112278 1.0 B B18 1 0.50000000 0.29508765 0.23476460 1.0 B B19 1 0.50000000 0.70491235 0.76523540 1.0 B B20 1 0.50000000 0.63188267 0.17798937 1.0 B B21 1 0.50000000 0.36811733 0.82201063 1.0 B B22 1 0.50000000 0.12867689 0.31550624 1.0 B B23 1 0.50000000 0.87132311 0.68449376 1.0 B B24 1 0.50000000 0.98034478 0.20976472 1.0 B B25 1 0.50000000 0.01965522 0.79023528 1.0 B B26 1 0.50000000 0.48182684 0.28438939 1.0 B B27 1 0.50000000 0.51817316 0.71561061 1.0 B B28 1 0.50000000 0.59161147 0.02468626 1.0 B B29 1 0.50000000 0.40838853 0.97531374 1.0 B B30 1 0.50000000 0.09229263 0.47485376 1.0 B B31 1 0.50000000 0.90770737 0.52514624 1.0 Ru Ru32 1 0.00000000 0.64222420 0.31347266 1.0 Ru Ru33 1 0.00000000 0.35777580 0.68652734 1.0 Ru Ru34 1 0.00000000 0.14217842 0.17614260 1.0 Ru Ru35 1 0.00000000 0.85782158 0.82385740 1.0