# generated using pymatgen data_Hf3(Bi5Cl9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.23279745 _cell_length_b 14.23279745 _cell_length_c 11.16521000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999744 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3(Bi5Cl9)2 _chemical_formula_sum 'Hf6 Bi20 Cl36' _cell_volume 1958.74579206 _cell_formula_units_Z 2 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 Hf Hf0 1 0.22376800 0.89155500 0.24351300 1.0 Hf Hf1 1 0.10844500 0.33221400 0.24351300 1.0 Hf Hf2 1 0.33221400 0.22376800 0.74351300 1.0 Hf Hf3 1 0.66778600 0.77623200 0.24351300 1.0 Hf Hf4 1 0.89155500 0.66778600 0.74351300 1.0 Hf Hf5 1 0.77623200 0.10844500 0.74351300 1.0 Bi Bi6 1 0.00000000 0.00000000 0.88118100 1.0 Bi Bi7 1 0.22509400 0.70256200 0.57005300 1.0 Bi Bi8 1 0.22226100 0.70091300 0.92601500 1.0 Bi Bi9 1 0.12012200 0.50322000 0.75068400 1.0 Bi Bi10 1 0.38309800 0.87987800 0.75068400 1.0 Bi Bi11 1 0.00000000 0.00000000 0.38118100 1.0 Bi Bi12 1 0.29908700 0.52134800 0.92601500 1.0 Bi Bi13 1 0.29743800 0.52253200 0.57005300 1.0 Bi Bi14 1 0.47865200 0.77773900 0.92601500 1.0 Bi Bi15 1 0.47746800 0.77490600 0.57005300 1.0 Bi Bi16 1 0.49678000 0.61690200 0.75068400 1.0 Bi Bi17 1 0.50322000 0.38309800 0.25068400 1.0 Bi Bi18 1 0.52253200 0.22509400 0.07005300 1.0 Bi Bi19 1 0.52134800 0.22226100 0.42601500 1.0 Bi Bi20 1 0.70091300 0.47865200 0.42601500 1.0 Bi Bi21 1 0.70256200 0.47746800 0.07005300 1.0 Bi Bi22 1 0.61690200 0.12012200 0.25068400 1.0 Bi Bi23 1 0.87987800 0.49678000 0.25068400 1.0 Bi Bi24 1 0.77490600 0.29743800 0.07005300 1.0 Bi Bi25 1 0.77773900 0.29908700 0.42601500 1.0 Cl Cl26 1 0.07986300 0.81224900 0.74040200 1.0 Cl Cl27 1 0.09168100 0.83532600 0.08817100 1.0 Cl Cl28 1 0.07726200 0.85819500 0.39767100 1.0 Cl Cl29 1 0.07027100 0.43838800 0.09740900 1.0 Cl Cl30 1 0.06354300 0.41903500 0.41481800 1.0 Cl Cl31 1 0.17791900 0.70269300 0.27617100 1.0 Cl Cl32 1 0.36811600 0.92972900 0.09740900 1.0 Cl Cl33 1 0.35549200 0.93645700 0.41481800 1.0 Cl Cl34 1 0.16467400 0.25635500 0.08817100 1.0 Cl Cl35 1 0.14180500 0.21906700 0.39767100 1.0 Cl Cl36 1 0.29730700 0.47522600 0.27617100 1.0 Cl Cl37 1 0.18775100 0.26761500 0.74040200 1.0 Cl Cl38 1 0.52477400 0.82208100 0.27617100 1.0 Cl Cl39 1 0.25635500 0.09168100 0.58817100 1.0 Cl Cl40 1 0.21906700 0.07726200 0.89767100 1.0 Cl Cl41 1 0.26761500 0.07986300 0.24040200 1.0 Cl Cl42 1 0.56161200 0.63188400 0.09740900 1.0 Cl Cl43 1 0.58096500 0.64450800 0.41481800 1.0 Cl Cl44 1 0.43838800 0.36811600 0.59740900 1.0 Cl Cl45 1 0.41903500 0.35549200 0.91481800 1.0 Cl Cl46 1 0.73238500 0.92013700 0.74040200 1.0 Cl Cl47 1 0.74364500 0.90831900 0.08817100 1.0 Cl Cl48 1 0.78093300 0.92273800 0.39767100 1.0 Cl Cl49 1 0.47522600 0.17791900 0.77617100 1.0 Cl Cl50 1 0.81224900 0.73238500 0.24040200 1.0 Cl Cl51 1 0.70269300 0.52477400 0.77617100 1.0 Cl Cl52 1 0.83532600 0.74364500 0.58817100 1.0 Cl Cl53 1 0.85819500 0.78093300 0.89767100 1.0 Cl Cl54 1 0.63188400 0.07027100 0.59740900 1.0 Cl Cl55 1 0.64450800 0.06354300 0.91481800 1.0 Cl Cl56 1 0.82208100 0.29730700 0.77617100 1.0 Cl Cl57 1 0.92972900 0.56161200 0.59740900 1.0 Cl Cl58 1 0.93645700 0.58096500 0.91481800 1.0 Cl Cl59 1 0.90831900 0.16467400 0.58817100 1.0 Cl Cl60 1 0.92273800 0.14180500 0.89767100 1.0 Cl Cl61 1 0.92013700 0.18775100 0.24040200 1.0