# generated using pymatgen data_TmSc4Bi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84312137 _cell_length_b 8.99801134 _cell_length_c 11.51354827 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmSc4Bi3 _chemical_formula_sum 'Tm4 Sc16 Bi12' _cell_volume 812.53982798 _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 0.18270767 0.25000000 0.78259489 1.0 Tm Tm1 1 0.81729233 0.75000000 0.21740511 1.0 Tm Tm2 1 0.31729233 0.75000000 0.28259489 1.0 Tm Tm3 1 0.68270767 0.25000000 0.71740511 1.0 Sc Sc4 1 0.01835385 0.25000000 0.51036397 1.0 Sc Sc5 1 0.98164615 0.75000000 0.48963603 1.0 Sc Sc6 1 0.48164615 0.75000000 0.01036397 1.0 Sc Sc7 1 0.51835385 0.25000000 0.98963603 1.0 Sc Sc8 1 0.34953893 0.25000000 0.28062435 1.0 Sc Sc9 1 0.65046107 0.75000000 0.71937565 1.0 Sc Sc10 1 0.15046107 0.75000000 0.78062435 1.0 Sc Sc11 1 0.84953893 0.25000000 0.21937565 1.0 Sc Sc12 1 0.19259620 0.06747369 0.06232609 1.0 Sc Sc13 1 0.80740380 0.93252631 0.93767391 1.0 Sc Sc14 1 0.30740380 0.93252631 0.56232609 1.0 Sc Sc15 1 0.80740380 0.56747369 0.93767391 1.0 Sc Sc16 1 0.69259620 0.06747369 0.43767391 1.0 Sc Sc17 1 0.19259620 0.43252631 0.06232609 1.0 Sc Sc18 1 0.69259620 0.43252631 0.43767391 1.0 Sc Sc19 1 0.30740380 0.56747369 0.56232609 1.0 Bi Bi20 1 0.40222813 0.25000000 0.53442966 1.0 Bi Bi21 1 0.59777187 0.75000000 0.46557034 1.0 Bi Bi22 1 0.09777187 0.75000000 0.03442966 1.0 Bi Bi23 1 0.90222813 0.25000000 0.96557034 1.0 Bi Bi24 1 0.06397893 0.00792207 0.32783883 1.0 Bi Bi25 1 0.93602107 0.99207793 0.67216117 1.0 Bi Bi26 1 0.43602107 0.99207793 0.82783883 1.0 Bi Bi27 1 0.93602107 0.50792207 0.67216117 1.0 Bi Bi28 1 0.56397893 0.00792207 0.17216117 1.0 Bi Bi29 1 0.06397893 0.49207793 0.32783883 1.0 Bi Bi30 1 0.56397893 0.49207793 0.17216117 1.0 Bi Bi31 1 0.43602107 0.50792207 0.82783883 1.0