# generated using pymatgen data_Ta3Mn2B3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08462576 _cell_length_b 6.19503015 _cell_length_c 10.68064830 _cell_angle_alpha 90.33539504 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Mn2B3Ru _chemical_formula_sum 'Ta6 Mn4 B6 Ru2' _cell_volume 204.09674558 _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 Ta Ta0 1 0.00000000 0.24215342 0.95480994 1.0 Ta Ta1 1 0.00000000 0.75784658 0.04519006 1.0 Ta Ta2 1 0.00000000 0.22828477 0.55066764 1.0 Ta Ta3 1 0.00000000 0.77171523 0.44933236 1.0 Ta Ta4 1 0.00000000 0.14051014 0.24477385 1.0 Ta Ta5 1 0.00000000 0.85948986 0.75522615 1.0 Mn Mn6 1 0.50000000 0.42326774 0.12432507 1.0 Mn Mn7 1 0.50000000 0.57673226 0.87567493 1.0 Mn Mn8 1 0.50000000 0.79728220 0.24801756 1.0 Mn Mn9 1 0.50000000 0.20271780 0.75198244 1.0 B B10 1 0.50000000 0.04854287 0.08439996 1.0 B B11 1 0.50000000 0.95145713 0.91560004 1.0 B B12 1 0.50000000 0.04988856 0.41192838 1.0 B B13 1 0.50000000 0.95011144 0.58807162 1.0 B B14 1 0.00000000 0.55248919 0.24093187 1.0 B B15 1 0.00000000 0.44751081 0.75906813 1.0 Ru Ru16 1 0.50000000 0.42504925 0.37407589 1.0 Ru Ru17 1 0.50000000 0.57495075 0.62592411 1.0