# generated using pymatgen data_Hf4BeNb6Si7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62517265 _cell_length_b 6.80289676 _cell_length_c 12.99914908 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.71497012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4BeNb6Si7 _chemical_formula_sum 'Hf8 Be2 Nb12 Si14' _cell_volume 585.86915167 _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 0.99912432 0.17136150 0.09515657 1.0 Hf Hf1 1 0.00087568 0.82863850 0.90484343 1.0 Hf Hf2 1 0.50065461 0.67490360 0.90345725 1.0 Hf Hf3 1 0.00087568 0.82863850 0.59515657 1.0 Hf Hf4 1 0.49934539 0.32509640 0.09654275 1.0 Hf Hf5 1 0.99912432 0.17136150 0.40484343 1.0 Hf Hf6 1 0.49934539 0.32509640 0.40345725 1.0 Hf Hf7 1 0.50065461 0.67490360 0.59654275 1.0 Be Be8 1 0.04354570 0.11280816 0.75000000 1.0 Be Be9 1 0.95645430 0.88719184 0.25000000 1.0 Nb Nb10 1 0.16419284 0.49603069 0.75000000 1.0 Nb Nb11 1 0.83580716 0.50396931 0.25000000 1.0 Nb Nb12 1 0.33473176 0.99611694 0.25000000 1.0 Nb Nb13 1 0.66526824 0.00388306 0.75000000 1.0 Nb Nb14 1 0.33421398 0.17354837 0.62420851 1.0 Nb Nb15 1 0.66578602 0.82645163 0.37579149 1.0 Nb Nb16 1 0.15829507 0.67803579 0.37462889 1.0 Nb Nb17 1 0.66578602 0.82645163 0.12420851 1.0 Nb Nb18 1 0.84170493 0.32196421 0.62537111 1.0 Nb Nb19 1 0.33421398 0.17354837 0.87579149 1.0 Nb Nb20 1 0.84170493 0.32196421 0.87462889 1.0 Nb Nb21 1 0.15829507 0.67803579 0.12537111 1.0 Si Si22 1 0.45913598 0.61288540 0.25000000 1.0 Si Si23 1 0.54086402 0.38711460 0.75000000 1.0 Si Si24 1 0.28493387 0.87258228 0.75000000 1.0 Si Si25 1 0.71506613 0.12741772 0.25000000 1.0 Si Si26 1 0.20362632 0.36193572 0.25000000 1.0 Si Si27 1 0.79637368 0.63806428 0.75000000 1.0 Si Si28 1 0.17085912 0.46581702 0.53643135 1.0 Si Si29 1 0.82914088 0.53418298 0.46356865 1.0 Si Si30 1 0.32945722 0.96483883 0.46208935 1.0 Si Si31 1 0.82914088 0.53418298 0.03643135 1.0 Si Si32 1 0.67054278 0.03516117 0.53791065 1.0 Si Si33 1 0.17085912 0.46581702 0.96356865 1.0 Si Si34 1 0.67054278 0.03516117 0.96208935 1.0 Si Si35 1 0.32945722 0.96483883 0.03791065 1.0