# generated using pymatgen data_Hf8Nb12Si15B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62158624 _cell_length_b 6.80787143 _cell_length_c 12.98157660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.64183333 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Nb12Si15B _chemical_formula_sum 'Hf8 Nb12 Si15 B1' _cell_volume 585.18386103 _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 0.49895134 0.66623732 0.59754946 1.0 Hf Hf1 1 0.99964619 0.82499928 0.90210586 1.0 Hf Hf2 1 0.50248203 0.32734653 0.09370985 1.0 Hf Hf3 1 0.00336521 0.17267429 0.40697056 1.0 Hf Hf4 1 0.50248203 0.32734653 0.40629015 1.0 Hf Hf5 1 0.00336521 0.17267429 0.09302944 1.0 Hf Hf6 1 0.49895134 0.66623732 0.90245054 1.0 Hf Hf7 1 0.99964619 0.82499928 0.59789414 1.0 Nb Nb8 1 0.65170731 0.18491826 0.62734864 1.0 Nb Nb9 1 0.17128635 0.32752599 0.87402629 1.0 Nb Nb10 1 0.33743539 0.82691051 0.12231232 1.0 Nb Nb11 1 0.83639764 0.67370485 0.37742172 1.0 Nb Nb12 1 0.33743539 0.82691051 0.37768768 1.0 Nb Nb13 1 0.83639764 0.67370485 0.12257828 1.0 Nb Nb14 1 0.65170731 0.18491826 0.87265136 1.0 Nb Nb15 1 0.17128635 0.32752599 0.62597371 1.0 Nb Nb16 1 0.82899453 0.49744084 0.75000000 1.0 Nb Nb17 1 0.33547459 0.00483349 0.75000000 1.0 Nb Nb18 1 0.16266879 0.50143650 0.25000000 1.0 Nb Nb19 1 0.66379593 0.99848618 0.25000000 1.0 Si Si20 1 0.67104544 0.96621029 0.46526425 1.0 Si Si21 1 0.17151218 0.53469341 0.03698941 1.0 Si Si22 1 0.32836018 0.03366777 0.96131845 1.0 Si Si23 1 0.83237953 0.46399896 0.53917931 1.0 Si Si24 1 0.32836018 0.03366777 0.53868155 1.0 Si Si25 1 0.83237953 0.46399896 0.96082069 1.0 Si Si26 1 0.67104544 0.96621029 0.03473575 1.0 Si Si27 1 0.17151218 0.53469341 0.46301059 1.0 Si Si28 1 0.95716187 0.11506746 0.75000000 1.0 Si Si29 1 0.53943384 0.61274995 0.25000000 1.0 Si Si30 1 0.04002057 0.88785016 0.25000000 1.0 Si Si31 1 0.70240820 0.86544900 0.75000000 1.0 Si Si32 1 0.21624684 0.62564312 0.75000000 1.0 Si Si33 1 0.29603204 0.13760794 0.25000000 1.0 Si Si34 1 0.79623354 0.36146618 0.25000000 1.0 B B35 1 0.45239372 0.38619328 0.75000000 1.0