# generated using pymatgen data_Hf20Si12B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53646053 _cell_length_b 7.90846105 _cell_length_c 13.69439119 _cell_angle_alpha 89.99999255 _cell_angle_beta 90.00000329 _cell_angle_gamma 89.91529554 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf20Si12B _chemical_formula_sum 'Hf20 Si12 B1' _cell_volume 599.60665246 _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 0.50000000 0.99999600 0.33453600 1.0 Hf Hf1 1 0.50000000 0.49999100 0.83254800 1.0 Hf Hf2 1 0.50000000 0.49999100 0.16745200 1.0 Hf Hf3 1 0.50000000 0.99999600 0.66546400 1.0 Hf Hf4 1 0.00000300 0.50000800 0.16484600 1.0 Hf Hf5 1 0.99999800 0.00000200 0.66723700 1.0 Hf Hf6 1 0.99999800 0.00000200 0.33276300 1.0 Hf Hf7 1 0.00000300 0.50000800 0.83515400 1.0 Hf Hf8 1 0.75583200 0.24766500 0.00000000 1.0 Hf Hf9 1 0.75059400 0.75114700 0.50000000 1.0 Hf Hf10 1 0.74954700 0.37523200 0.37423800 1.0 Hf Hf11 1 0.75564900 0.87557300 0.87540800 1.0 Hf Hf12 1 0.75564900 0.87557300 0.12459200 1.0 Hf Hf13 1 0.74954700 0.37523200 0.62576200 1.0 Hf Hf14 1 0.24416200 0.75233600 0.00000000 1.0 Hf Hf15 1 0.24940200 0.24885500 0.50000000 1.0 Hf Hf16 1 0.24435300 0.12442900 0.12459300 1.0 Hf Hf17 1 0.25045100 0.62476700 0.62576000 1.0 Hf Hf18 1 0.25045100 0.62476700 0.37424000 1.0 Hf Hf19 1 0.24435300 0.12442900 0.87540700 1.0 Si Si20 1 0.74785000 0.60668600 0.00000000 1.0 Si Si21 1 0.75246900 0.10979000 0.50000000 1.0 Si Si22 1 0.75087800 0.19742000 0.19728100 1.0 Si Si23 1 0.74990800 0.69584300 0.69551800 1.0 Si Si24 1 0.74990800 0.69584300 0.30448200 1.0 Si Si25 1 0.75087800 0.19742000 0.80271900 1.0 Si Si26 1 0.25214200 0.39331700 0.00000000 1.0 Si Si27 1 0.24752500 0.89021000 0.50000000 1.0 Si Si28 1 0.25009800 0.30415700 0.30448200 1.0 Si Si29 1 0.24912800 0.80257800 0.80272100 1.0 Si Si30 1 0.24912800 0.80257800 0.19727900 1.0 Si Si31 1 0.25009800 0.30415700 0.69551800 1.0 B B32 1 0.99999900 0.00000200 0.00000000 1.0