# generated using pymatgen data_Mg2Ta3NbRu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43771692 _cell_length_b 6.26861642 _cell_length_c 13.28030780 _cell_angle_alpha 90.00006999 _cell_angle_beta 89.99999573 _cell_angle_gamma 89.99999533 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ta3NbRu6 _chemical_formula_sum 'Mg4 Ta6 Nb2 Ru12' _cell_volume 369.43618660 _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 Mg Mg0 1 0.99999944 0.50000179 0.33563164 1.0 Mg Mg1 1 0.49999788 0.00000028 0.50184925 1.0 Mg Mg2 1 0.99999966 0.50000033 0.66486700 1.0 Mg Mg3 1 0.50000006 0.99999896 0.83103842 1.0 Ta Ta4 1 0.00000108 0.99999560 0.99328611 1.0 Ta Ta5 1 0.50000185 0.49999902 0.17334702 1.0 Ta Ta6 1 0.99999968 0.00000130 0.34394359 1.0 Ta Ta7 1 0.49999777 0.50000127 0.50302105 1.0 Ta Ta8 1 0.99999877 0.00000002 0.66365771 1.0 Ta Ta9 1 0.49999958 0.50000068 0.82272729 1.0 Nb Nb10 1 0.00000092 0.49999627 0.99644426 1.0 Nb Nb11 1 0.50000156 0.00000332 0.17019746 1.0 Ru Ru12 1 0.50000061 0.25248762 0.00281944 1.0 Ru Ru13 1 0.50000066 0.74751105 0.00281824 1.0 Ru Ru14 1 0.00000100 0.24751388 0.16384023 1.0 Ru Ru15 1 0.00000094 0.75248796 0.16384279 1.0 Ru Ru16 1 0.49999987 0.24769148 0.33027278 1.0 Ru Ru17 1 0.49999950 0.75230958 0.33027574 1.0 Ru Ru18 1 0.99999843 0.24998725 0.49980447 1.0 Ru Ru19 1 0.99999760 0.75001473 0.49980532 1.0 Ru Ru20 1 0.49999929 0.25003166 0.66686108 1.0 Ru Ru21 1 0.49999907 0.74997195 0.66685894 1.0 Ru Ru22 1 0.99999978 0.25230836 0.83639714 1.0 Ru Ru23 1 0.99999998 0.74769264 0.83639404 1.0