# generated using pymatgen data_Nb5Ga6SiRu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34719367 _cell_length_b 6.13685601 _cell_length_c 12.97627831 _cell_angle_alpha 90.00016765 _cell_angle_beta 89.99990541 _cell_angle_gamma 90.00018166 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5Ga6SiRu12 _chemical_formula_sum 'Nb5 Ga6 Si1 Ru12' _cell_volume 346.18247113 _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 Nb Nb0 1 0.00002458 0.50000414 0.99285126 1.0 Nb Nb1 1 0.49989157 0.99999212 0.16436756 1.0 Nb Nb2 1 0.99985017 0.50000531 0.33332767 1.0 Nb Nb3 1 0.50000027 0.99999443 0.50228899 1.0 Nb Nb4 1 0.00010443 0.50000594 0.67382637 1.0 Ga Ga5 1 0.00001328 0.99999750 0.00407318 1.0 Ga Ga6 1 0.49988149 0.50000328 0.16086275 1.0 Ga Ga7 1 0.99981316 0.99999818 0.33330344 1.0 Ga Ga8 1 0.50000276 0.50000340 0.50583733 1.0 Ga Ga9 1 0.00010787 0.99999773 0.66256568 1.0 Ga Ga10 1 0.50015706 0.50000194 0.83330904 1.0 Si Si11 1 0.50013078 0.99999914 0.83331933 1.0 Ru Ru12 1 0.50002692 0.24155005 0.99197785 1.0 Ru Ru13 1 0.50003543 0.75845034 0.99197879 1.0 Ru Ru14 1 0.99989565 0.25178508 0.16541871 1.0 Ru Ru15 1 0.99989630 0.74821551 0.16541920 1.0 Ru Ru16 1 0.49986198 0.25095459 0.33334043 1.0 Ru Ru17 1 0.49986219 0.74904550 0.33334006 1.0 Ru Ru18 1 0.99999669 0.25176817 0.50124974 1.0 Ru Ru19 1 0.99999729 0.74823242 0.50124940 1.0 Ru Ru20 1 0.50011325 0.24154218 0.67470275 1.0 Ru Ru21 1 0.50012213 0.75845836 0.67470251 1.0 Ru Ru22 1 0.00009007 0.23199582 0.83334380 1.0 Ru Ru23 1 0.00011969 0.76800287 0.83334416 1.0