# generated using pymatgen data_Hf4Ta6BeSi7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60162997 _cell_length_b 6.76286174 _cell_length_c 12.93070441 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.63938268 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Ta6BeSi7 _chemical_formula_sum 'Hf8 Ta12 Be2 Si14' _cell_volume 577.29164092 _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 0.99753586 0.16985210 0.09529351 1.0 Hf Hf1 1 0.00246414 0.83014790 0.90470649 1.0 Hf Hf2 1 0.50286574 0.67379146 0.90359090 1.0 Hf Hf3 1 0.00246414 0.83014790 0.59529351 1.0 Hf Hf4 1 0.49713426 0.32620854 0.09640910 1.0 Hf Hf5 1 0.99753586 0.16985210 0.40470649 1.0 Hf Hf6 1 0.49713426 0.32620854 0.40359090 1.0 Hf Hf7 1 0.50286574 0.67379146 0.59640910 1.0 Ta Ta8 1 0.16571129 0.49496442 0.75000000 1.0 Ta Ta9 1 0.83428871 0.50503558 0.25000000 1.0 Ta Ta10 1 0.33298784 0.99554887 0.25000000 1.0 Ta Ta11 1 0.66701216 0.00445113 0.75000000 1.0 Ta Ta12 1 0.33442158 0.17416500 0.62446864 1.0 Ta Ta13 1 0.66557842 0.82583500 0.37553136 1.0 Ta Ta14 1 0.15560530 0.67951365 0.37401549 1.0 Ta Ta15 1 0.66557842 0.82583500 0.12446864 1.0 Ta Ta16 1 0.84439470 0.32048635 0.62598451 1.0 Ta Ta17 1 0.33442158 0.17416500 0.87553136 1.0 Ta Ta18 1 0.84439470 0.32048635 0.87401549 1.0 Ta Ta19 1 0.15560530 0.67951365 0.12598451 1.0 Be Be20 1 0.04693853 0.11351913 0.75000000 1.0 Be Be21 1 0.95306147 0.88648087 0.25000000 1.0 Si Si22 1 0.45742966 0.61365515 0.25000000 1.0 Si Si23 1 0.54257034 0.38634485 0.75000000 1.0 Si Si24 1 0.28721620 0.87202489 0.75000000 1.0 Si Si25 1 0.71278380 0.12797511 0.25000000 1.0 Si Si26 1 0.20130365 0.36209800 0.25000000 1.0 Si Si27 1 0.79869635 0.63790200 0.75000000 1.0 Si Si28 1 0.17141331 0.46664277 0.53603984 1.0 Si Si29 1 0.82858669 0.53335723 0.46396016 1.0 Si Si30 1 0.32959827 0.96481075 0.46207156 1.0 Si Si31 1 0.82858669 0.53335723 0.03603984 1.0 Si Si32 1 0.67040173 0.03518925 0.53792844 1.0 Si Si33 1 0.17141331 0.46664277 0.96396016 1.0 Si Si34 1 0.67040173 0.03518925 0.96207156 1.0 Si Si35 1 0.32959827 0.96481075 0.03792844 1.0