# generated using pymatgen data_MgNb6Ga5Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37693261 _cell_length_b 6.18495858 _cell_length_c 13.13116487 _cell_angle_alpha 90.00009815 _cell_angle_beta 90.00068556 _cell_angle_gamma 90.00011086 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNb6Ga5Ru12 _chemical_formula_sum 'Mg1 Nb6 Ga5 Ru12' _cell_volume 355.47569261 _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 Mg Mg0 1 0.50021281 0.49999622 0.83310884 1.0 Nb Nb1 1 0.00002413 0.50000488 0.00060782 1.0 Nb Nb2 1 0.49994087 0.99999570 0.16666877 1.0 Nb Nb3 1 0.99992090 0.50000589 0.33333879 1.0 Nb Nb4 1 0.49998765 0.99999337 0.50002637 1.0 Nb Nb5 1 0.00009096 0.50000695 0.66609229 1.0 Nb Nb6 1 0.50004256 0.99999441 0.83334022 1.0 Ga Ga7 1 0.99999597 0.00001294 0.99953188 1.0 Ga Ga8 1 0.49987107 0.49998388 0.16682097 1.0 Ga Ga9 1 0.99987732 0.00001573 0.33324426 1.0 Ga Ga10 1 0.49999222 0.49998471 0.49996556 1.0 Ga Ga11 1 0.00008767 0.00001340 0.66717998 1.0 Ru Ru12 1 0.50000469 0.24885562 0.00185952 1.0 Ru Ru13 1 0.50000000 0.75114160 0.00186078 1.0 Ru Ru14 1 0.99988934 0.24949499 0.16779884 1.0 Ru Ru15 1 0.99989354 0.75050321 0.16779942 1.0 Ru Ru16 1 0.49988090 0.25037402 0.33339743 1.0 Ru Ru17 1 0.49987627 0.74962461 0.33339714 1.0 Ru Ru18 1 0.99998825 0.24945850 0.49889511 1.0 Ru Ru19 1 0.99999336 0.75054129 0.49889424 1.0 Ru Ru20 1 0.50009944 0.24878335 0.66475927 1.0 Ru Ru21 1 0.50009402 0.75121679 0.66475865 1.0 Ru Ru22 1 0.00011556 0.24874933 0.83332938 1.0 Ru Ru23 1 0.00011951 0.75124963 0.83332846 1.0