# generated using pymatgen data_Nb3Zn2GeRu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36896416 _cell_length_b 6.16176789 _cell_length_c 13.08951495 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99999524 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Zn2GeRu6 _chemical_formula_sum 'Nb6 Zn4 Ge2 Ru12' _cell_volume 352.37685091 _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 Nb Nb0 1 0.99999844 0.00000000 0.00472658 1.0 Nb Nb1 1 0.50001769 0.50000000 0.16781314 1.0 Nb Nb2 1 0.00002869 0.00000000 0.33220283 1.0 Nb Nb3 1 0.50000311 0.50000000 0.49525290 1.0 Nb Nb4 1 0.99997507 0.00000000 0.66272910 1.0 Nb Nb5 1 0.49996867 0.50000000 0.83727802 1.0 Zn Zn6 1 0.99999771 0.50000000 0.99957661 1.0 Zn Zn7 1 0.50002373 0.00000000 0.16642751 1.0 Zn Zn8 1 0.00002475 0.50000000 0.33357218 1.0 Zn Zn9 1 0.50000176 0.00000000 0.50042483 1.0 Ge Ge10 1 0.99998290 0.50000000 0.66622181 1.0 Ge Ge11 1 0.49997917 0.00000000 0.83377507 1.0 Ru Ru12 1 0.49999801 0.24820482 0.99743340 1.0 Ru Ru13 1 0.49999801 0.75179518 0.99743340 1.0 Ru Ru14 1 0.00001973 0.25020110 0.16614935 1.0 Ru Ru15 1 0.00001973 0.74979890 0.16614935 1.0 Ru Ru16 1 0.50002286 0.24979975 0.33385131 1.0 Ru Ru17 1 0.50002286 0.75020125 0.33385131 1.0 Ru Ru18 1 0.00000211 0.25179443 0.50256796 1.0 Ru Ru19 1 0.00000211 0.74820457 0.50256796 1.0 Ru Ru20 1 0.49997914 0.25133920 0.66889582 1.0 Ru Ru21 1 0.49997914 0.74866180 0.66889582 1.0 Ru Ru22 1 0.99997582 0.24865955 0.83110185 1.0 Ru Ru23 1 0.99997582 0.75134045 0.83110185 1.0