# generated using pymatgen data_Sc2Ga3MoRu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36611676 _cell_length_b 6.17416126 _cell_length_c 13.05449566 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99880560 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ga3MoRu6 _chemical_formula_sum 'Sc4 Ga6 Mo2 Ru12' _cell_volume 351.91146148 _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 Sc Sc0 1 0.99989530 0.00000000 0.33267974 1.0 Sc Sc1 1 0.49998996 0.49999900 0.49977407 1.0 Sc Sc2 1 0.00013348 0.00000000 0.66687264 1.0 Sc Sc3 1 0.50008985 0.49999900 0.83404648 1.0 Ga Ga4 1 0.00002748 0.49999900 0.99802886 1.0 Ga Ga5 1 0.49986424 0.00000000 0.16861105 1.0 Ga Ga6 1 0.99990126 0.49999900 0.33359196 1.0 Ga Ga7 1 0.49999393 0.00000000 0.49863338 1.0 Ga Ga8 1 0.00017060 0.49999900 0.66797501 1.0 Ga Ga9 1 0.50008529 0.00000000 0.83297987 1.0 Mo Mo10 1 0.99999613 0.00000000 0.99678181 1.0 Mo Mo11 1 0.49988466 0.49999900 0.16987791 1.0 Ru Ru12 1 0.50000600 0.24299525 0.00577726 1.0 Ru Ru13 1 0.50000600 0.75700575 0.00577726 1.0 Ru Ru14 1 0.99988672 0.25691387 0.16088656 1.0 Ru Ru15 1 0.99988672 0.74308513 0.16088656 1.0 Ru Ru16 1 0.49991335 0.25610489 0.32566130 1.0 Ru Ru17 1 0.49991335 0.74389611 0.32566130 1.0 Ru Ru18 1 0.99999091 0.25380854 0.49879090 1.0 Ru Ru19 1 0.99999091 0.74619046 0.49879090 1.0 Ru Ru20 1 0.50012042 0.24620321 0.66789499 1.0 Ru Ru21 1 0.50012042 0.75379779 0.66789499 1.0 Ru Ru22 1 0.00006902 0.24396946 0.84106211 1.0 Ru Ru23 1 0.00006902 0.75602954 0.84106211 1.0