# generated using pymatgen data_Tm2(ScBi)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87662045 _cell_length_b 9.05999638 _cell_length_c 11.69485544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2(ScBi)3 _chemical_formula_sum 'Tm8 Sc12 Bi12' _cell_volume 834.57006082 _cell_formula_units_Z 4 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 0.35071630 0.25000000 0.28229897 1.0 Tm Tm1 1 0.64928370 0.75000000 0.71770103 1.0 Tm Tm2 1 0.14928370 0.75000000 0.78229897 1.0 Tm Tm3 1 0.85071630 0.25000000 0.21770103 1.0 Tm Tm4 1 0.18268834 0.25000000 0.78179964 1.0 Tm Tm5 1 0.81731166 0.75000000 0.21820036 1.0 Tm Tm6 1 0.31731166 0.75000000 0.28179964 1.0 Tm Tm7 1 0.68268834 0.25000000 0.71820036 1.0 Sc Sc8 1 0.01749258 0.25000000 0.50949780 1.0 Sc Sc9 1 0.98250742 0.75000000 0.49050220 1.0 Sc Sc10 1 0.48250742 0.75000000 0.00949780 1.0 Sc Sc11 1 0.51749258 0.25000000 0.99050220 1.0 Sc Sc12 1 0.19113880 0.06758466 0.05802204 1.0 Sc Sc13 1 0.80886120 0.93241534 0.94197796 1.0 Sc Sc14 1 0.30886120 0.93241534 0.55802204 1.0 Sc Sc15 1 0.80886120 0.56758466 0.94197796 1.0 Sc Sc16 1 0.69113880 0.06758466 0.44197796 1.0 Sc Sc17 1 0.19113880 0.43241534 0.05802204 1.0 Sc Sc18 1 0.69113880 0.43241534 0.44197796 1.0 Sc Sc19 1 0.30886120 0.56758466 0.55802204 1.0 Bi Bi20 1 0.40137973 0.25000000 0.54017099 1.0 Bi Bi21 1 0.59862027 0.75000000 0.45982901 1.0 Bi Bi22 1 0.09862027 0.75000000 0.04017099 1.0 Bi Bi23 1 0.90137973 0.25000000 0.95982901 1.0 Bi Bi24 1 0.06429082 0.00389781 0.33094574 1.0 Bi Bi25 1 0.93570918 0.99610219 0.66905426 1.0 Bi Bi26 1 0.43570918 0.99610219 0.83094574 1.0 Bi Bi27 1 0.93570918 0.50389781 0.66905426 1.0 Bi Bi28 1 0.56429082 0.00389781 0.16905426 1.0 Bi Bi29 1 0.06429082 0.49610219 0.33094574 1.0 Bi Bi30 1 0.56429082 0.49610219 0.16905426 1.0 Bi Bi31 1 0.43570918 0.50389781 0.83094574 1.0