# generated using pymatgen data_Ho2Sc18HgBi11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79627947 _cell_length_b 8.96494670 _cell_length_c 11.46834965 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.15966920 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2Sc18HgBi11 _chemical_formula_sum 'Ho2 Sc18 Hg1 Bi11' _cell_volume 801.55688645 _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 Ho Ho0 1 0.67680975 0.75000000 0.78756969 1.0 Ho Ho1 1 0.18794363 0.75000000 0.72100164 1.0 Sc Sc2 1 0.35343140 0.75000000 0.21254255 1.0 Sc Sc3 1 0.84759132 0.75000000 0.28122209 1.0 Sc Sc4 1 0.65525093 0.25000000 0.78281480 1.0 Sc Sc5 1 0.15336581 0.25000000 0.71718779 1.0 Sc Sc6 1 0.68902242 0.57215128 0.06019584 1.0 Sc Sc7 1 0.19454542 0.93369355 0.43545330 1.0 Sc Sc8 1 0.30668452 0.05726009 0.94088474 1.0 Sc Sc9 1 0.80617037 0.43248108 0.55966541 1.0 Sc Sc10 1 0.30668452 0.44273991 0.94088474 1.0 Sc Sc11 1 0.80617037 0.06751892 0.55966541 1.0 Sc Sc12 1 0.68902242 0.92784872 0.06019584 1.0 Sc Sc13 1 0.19454542 0.56630645 0.43545330 1.0 Sc Sc14 1 0.47838773 0.25000000 0.48745195 1.0 Sc Sc15 1 0.98034826 0.25000000 0.01261884 1.0 Sc Sc16 1 0.51954850 0.75000000 0.50658629 1.0 Sc Sc17 1 0.02909376 0.75000000 0.99286523 1.0 Sc Sc18 1 0.31325076 0.25000000 0.21830039 1.0 Sc Sc19 1 0.81241320 0.25000000 0.28342213 1.0 Hg Hg20 1 0.40045964 0.75000000 0.96661778 1.0 Bi Bi21 1 0.90358861 0.75000000 0.53594297 1.0 Bi Bi22 1 0.59244846 0.25000000 0.03941826 1.0 Bi Bi23 1 0.09332380 0.25000000 0.46053747 1.0 Bi Bi24 1 0.56428995 0.99653397 0.32498197 1.0 Bi Bi25 1 0.06289290 0.50329934 0.17566883 1.0 Bi Bi26 1 0.43898239 0.49095580 0.67217087 1.0 Bi Bi27 1 0.93878525 0.00827929 0.82792860 1.0 Bi Bi28 1 0.43898239 0.00904420 0.67217087 1.0 Bi Bi29 1 0.93878525 0.49172071 0.82792860 1.0 Bi Bi30 1 0.56428995 0.50346603 0.32498197 1.0 Bi Bi31 1 0.06289290 0.99670066 0.17566883 1.0