# generated using pymatgen data_Tm4Sc16(SiBi3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65265927 _cell_length_b 8.85214575 _cell_length_c 11.38943288 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.87527278 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Sc16(SiBi3)3 _chemical_formula_sum 'Tm4 Sc16 Si3 Bi9' _cell_volume 771.54631959 _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 0.19281450 0.25000000 0.77429880 1.0 Tm Tm1 1 0.82648172 0.75000000 0.21058500 1.0 Tm Tm2 1 0.32844090 0.75000000 0.29101809 1.0 Tm Tm3 1 0.66965405 0.25000000 0.70681575 1.0 Sc Sc4 1 0.03367996 0.25000000 0.50893113 1.0 Sc Sc5 1 0.96348447 0.75000000 0.48891756 1.0 Sc Sc6 1 0.46222814 0.75000000 0.01329951 1.0 Sc Sc7 1 0.51780508 0.25000000 0.99104586 1.0 Sc Sc8 1 0.34777686 0.25000000 0.29668788 1.0 Sc Sc9 1 0.65475242 0.75000000 0.70283714 1.0 Sc Sc10 1 0.15050794 0.75000000 0.79403642 1.0 Sc Sc11 1 0.84094412 0.25000000 0.21811937 1.0 Sc Sc12 1 0.18891902 0.04673150 0.06142006 1.0 Sc Sc13 1 0.81750279 0.92583372 0.94134663 1.0 Sc Sc14 1 0.32142946 0.94130768 0.55739143 1.0 Sc Sc15 1 0.81750279 0.57416628 0.94134663 1.0 Sc Sc16 1 0.67699763 0.05768677 0.44386179 1.0 Sc Sc17 1 0.18891902 0.45326850 0.06142006 1.0 Sc Sc18 1 0.67699763 0.44231323 0.44386179 1.0 Sc Sc19 1 0.32142946 0.55869232 0.55739143 1.0 Si Si20 1 0.40292933 0.25000000 0.53281574 1.0 Si Si21 1 0.59341850 0.75000000 0.46764525 1.0 Si Si22 1 0.09131362 0.75000000 0.03086936 1.0 Bi Bi23 1 0.90806628 0.25000000 0.96286375 1.0 Bi Bi24 1 0.05926836 0.00630249 0.32630433 1.0 Bi Bi25 1 0.94131218 0.99342084 0.67236540 1.0 Bi Bi26 1 0.44205565 0.98995578 0.82718061 1.0 Bi Bi27 1 0.94131218 0.50657916 0.67236540 1.0 Bi Bi28 1 0.56036647 0.00791545 0.17473694 1.0 Bi Bi29 1 0.05926836 0.49369751 0.32630433 1.0 Bi Bi30 1 0.56036647 0.49208455 0.17473694 1.0 Bi Bi31 1 0.44205565 0.51004422 0.82718061 1.0