# generated using pymatgen data_Tm2Sc3P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.35365133 _cell_length_b 12.35365115 _cell_length_c 3.92845170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Sc3P12Ru19 _chemical_formula_sum 'Tm2 Sc3 P12 Ru19' _cell_volume 519.20960787 _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 Tm Tm0 1 0.66666700 0.33333300 0.00000000 1.0 Tm Tm1 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc2 1 1.00000000 0.18168500 0.50000000 1.0 Sc Sc3 1 0.81831500 0.81831500 0.50000000 1.0 Sc Sc4 1 0.18168500 0.00000000 0.50000000 1.0 P P5 1 1.00000000 0.81848762 0.00000000 1.0 P P6 1 0.18151238 0.18151238 0.00000000 1.0 P P7 1 0.81848762 0.00000000 0.00000000 1.0 P P8 1 0.69393210 0.17016928 0.50000000 1.0 P P9 1 0.82983072 0.52376282 0.50000000 1.0 P P10 1 0.47623718 0.30606790 0.50000000 1.0 P P11 1 0.17016928 0.69393210 0.50000000 1.0 P P12 1 0.52376282 0.82983072 0.50000000 1.0 P P13 1 0.30606790 0.47623718 0.50000000 1.0 P P14 1 0.00000000 0.37276432 0.00000000 1.0 P P15 1 0.62723568 0.62723568 0.00000000 1.0 P P16 1 0.37276432 0.00000000 0.00000000 1.0 Ru Ru17 1 1.00000000 0.55602954 0.00000000 1.0 Ru Ru18 1 0.44397046 0.44397046 0.00000000 1.0 Ru Ru19 1 0.55602954 0.00000000 0.00000000 1.0 Ru Ru20 1 1.00000000 0.72163865 0.50000000 1.0 Ru Ru21 1 0.27836135 0.27836135 0.50000000 1.0 Ru Ru22 1 0.72163865 0.00000000 0.50000000 1.0 Ru Ru23 1 0.81199711 0.18526459 0.00000000 1.0 Ru Ru24 1 0.81473541 0.62673253 0.00000000 1.0 Ru Ru25 1 0.37326747 0.18800289 0.00000000 1.0 Ru Ru26 1 0.18526459 0.81199711 0.00000000 1.0 Ru Ru27 1 0.62673253 0.81473541 0.00000000 1.0 Ru Ru28 1 0.18800289 0.37326747 0.00000000 1.0 Ru Ru29 1 0.87319245 0.36564801 0.50000000 1.0 Ru Ru30 1 0.63435199 0.50754344 0.50000000 1.0 Ru Ru31 1 0.49245656 0.12680755 0.50000000 1.0 Ru Ru32 1 0.36564801 0.87319245 0.50000000 1.0 Ru Ru33 1 0.50754344 0.63435199 0.50000000 1.0 Ru Ru34 1 0.12680755 0.49245656 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0