# generated using pymatgen data_Lu18Sc2(GaBi3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90873530 _cell_length_b 9.10045075 _cell_length_c 11.64426297 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.82627557 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu18Sc2(GaBi3)3 _chemical_formula_sum 'Lu18 Sc2 Ga3 Bi9' _cell_volume 838.06934020 _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 Lu Lu0 1 0.96284830 0.75000000 0.49078333 1.0 Lu Lu1 1 0.46039174 0.75000000 0.01046223 1.0 Lu Lu2 1 0.34807834 0.25000000 0.29583184 1.0 Lu Lu3 1 0.65234331 0.75000000 0.70473827 1.0 Lu Lu4 1 0.14718475 0.75000000 0.79330699 1.0 Lu Lu5 1 0.84538549 0.25000000 0.21487073 1.0 Lu Lu6 1 0.19508950 0.25000000 0.77657805 1.0 Lu Lu7 1 0.82093073 0.75000000 0.21076748 1.0 Lu Lu8 1 0.32319917 0.75000000 0.28896452 1.0 Lu Lu9 1 0.67286307 0.25000000 0.70839912 1.0 Lu Lu10 1 0.19286350 0.05307189 0.06141236 1.0 Lu Lu11 1 0.81286679 0.92829100 0.94332142 1.0 Lu Lu12 1 0.31642986 0.94183666 0.55634770 1.0 Lu Lu13 1 0.81286679 0.57170900 0.94332142 1.0 Lu Lu14 1 0.68396594 0.05950695 0.44542475 1.0 Lu Lu15 1 0.19286350 0.44692811 0.06141236 1.0 Lu Lu16 1 0.68396594 0.44049305 0.44542475 1.0 Lu Lu17 1 0.31642986 0.55816334 0.55634770 1.0 Sc Sc18 1 0.03526751 0.25000000 0.50922891 1.0 Sc Sc19 1 0.52229724 0.25000000 0.98956467 1.0 Ga Ga20 1 0.40470662 0.25000000 0.53751787 1.0 Ga Ga21 1 0.59057842 0.75000000 0.46095288 1.0 Ga Ga22 1 0.09064952 0.75000000 0.03847593 1.0 Bi Bi23 1 0.90619510 0.25000000 0.95636224 1.0 Bi Bi24 1 0.05869884 0.00287722 0.32478217 1.0 Bi Bi25 1 0.94262319 0.00199086 0.67446101 1.0 Bi Bi26 1 0.44291741 0.99861989 0.82503549 1.0 Bi Bi27 1 0.94262319 0.49800914 0.67446101 1.0 Bi Bi28 1 0.56063005 0.00465861 0.17581207 1.0 Bi Bi29 1 0.05869884 0.49712278 0.32478217 1.0 Bi Bi30 1 0.56063005 0.49534139 0.17581207 1.0 Bi Bi31 1 0.44291741 0.50138011 0.82503549 1.0