# generated using pymatgen data_Hf20Ga12B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68152272 _cell_length_b 7.97778221 _cell_length_c 13.79824701 _cell_angle_alpha 89.99999541 _cell_angle_beta 89.99998046 _cell_angle_gamma 90.03401015 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf20Ga12B _chemical_formula_sum 'Hf20 Ga12 B1' _cell_volume 625.41855582 _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 Hf Hf0 1 0.50000102 0.99999839 0.33225396 1.0 Hf Hf1 1 0.49999905 0.50000309 0.83322665 1.0 Hf Hf2 1 0.49999943 0.50000359 0.16675992 1.0 Hf Hf3 1 0.49999989 0.99999750 0.66775198 1.0 Hf Hf4 1 0.00000029 0.50000156 0.16834972 1.0 Hf Hf5 1 0.00000009 0.99999653 0.66455016 1.0 Hf Hf6 1 0.00000009 0.99999596 0.33545349 1.0 Hf Hf7 1 0.99999979 0.49999975 0.83164272 1.0 Hf Hf8 1 0.75712985 0.23840833 0.00000927 1.0 Hf Hf9 1 0.74909613 0.74389426 0.49999145 1.0 Hf Hf10 1 0.75007879 0.37961631 0.37965367 1.0 Hf Hf11 1 0.75830883 0.87949198 0.87996958 1.0 Hf Hf12 1 0.75830975 0.87946590 0.12004338 1.0 Hf Hf13 1 0.75007892 0.37964105 0.62033368 1.0 Hf Hf14 1 0.24286995 0.76157807 0.00001044 1.0 Hf Hf15 1 0.25090460 0.25612265 0.49999104 1.0 Hf Hf16 1 0.24169077 0.12052841 0.12004258 1.0 Hf Hf17 1 0.24992083 0.62036693 0.62033459 1.0 Hf Hf18 1 0.24992099 0.62038930 0.37965350 1.0 Hf Hf19 1 0.24168974 0.12050342 0.87996982 1.0 Ga Ga20 1 0.74967091 0.60429800 0.00000065 1.0 Ga Ga21 1 0.74617334 0.10823490 0.50000217 1.0 Ga Ga22 1 0.75098223 0.19794811 0.19825902 1.0 Ga Ga23 1 0.74908183 0.69624565 0.69544386 1.0 Ga Ga24 1 0.74907844 0.69623012 0.30455220 1.0 Ga Ga25 1 0.75098225 0.19795369 0.80174230 1.0 Ga Ga26 1 0.25033187 0.39569697 0.00000089 1.0 Ga Ga27 1 0.25383065 0.89177200 0.50000187 1.0 Ga Ga28 1 0.25091944 0.30377042 0.30455125 1.0 Ga Ga29 1 0.24901410 0.80204447 0.80174427 1.0 Ga Ga30 1 0.24901835 0.80205147 0.19825893 1.0 Ga Ga31 1 0.25091598 0.30375544 0.69544376 1.0 B B32 1 0.00000182 0.99999679 0.00000722 1.0