# generated using pymatgen data_Nb3Ge3MoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61562323 _cell_length_b 7.61562214 _cell_length_c 7.61562357 _cell_angle_alpha 126.81499823 _cell_angle_beta 124.24864689 _cell_angle_gamma 80.67591077 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ge3MoRu2 _chemical_formula_sum 'Nb6 Ge6 Mo2 Ru4' _cell_volume 281.85845553 _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 0.56117457 0.09817736 0.03700379 1.0 Nb Nb1 1 0.43882543 0.47582921 0.53700379 1.0 Nb Nb2 1 0.96181766 0.48764796 0.02583030 1.0 Nb Nb3 1 0.03818234 0.06401164 0.52583030 1.0 Nb Nb4 1 0.75117610 0.91896340 0.66778731 1.0 Nb Nb5 1 0.24882390 0.91661021 0.16778731 1.0 Ge Ge6 1 0.78311776 0.55542356 0.27230580 1.0 Ge Ge7 1 0.21688224 0.48918705 0.77230580 1.0 Ge Ge8 1 0.33432334 0.81767024 0.49186371 1.0 Ge Ge9 1 0.66567666 0.15753938 0.48334590 1.0 Ge Ge10 1 0.82580652 0.81767024 0.98334590 1.0 Ge Ge11 1 0.17419348 0.15753938 0.99186371 1.0 Mo Mo12 1 0.50000000 0.25094863 0.75094863 1.0 Mo Mo13 1 1.00000000 0.25094863 0.25094863 1.0 Ru Ru14 1 0.16805534 0.74864730 0.66142360 1.0 Ru Ru15 1 0.83194466 0.49336826 0.58059195 1.0 Ru Ru16 1 0.58722369 0.74864730 0.08059195 1.0 Ru Ru17 1 0.41277631 0.49336826 0.16142360 1.0