# generated using pymatgen data_Hf2Ta3BeSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56784564 _cell_length_b 6.73938237 _cell_length_c 12.87811926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Ta3BeSi3 _chemical_formula_sum 'Hf8 Ta12 Be4 Si12' _cell_volume 570.02706587 _cell_formula_units_Z 4 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 0.50061555 0.67184244 0.59758746 1.0 Hf Hf1 1 0.00061555 0.82815756 0.90241254 1.0 Hf Hf2 1 0.49938445 0.32815756 0.09758746 1.0 Hf Hf3 1 0.99938445 0.17184244 0.40241254 1.0 Hf Hf4 1 0.49938445 0.32815756 0.40241254 1.0 Hf Hf5 1 0.99938445 0.17184244 0.09758746 1.0 Hf Hf6 1 0.50061555 0.67184244 0.90241254 1.0 Hf Hf7 1 0.00061555 0.82815756 0.59758746 1.0 Ta Ta8 1 0.65813339 0.18032523 0.62717770 1.0 Ta Ta9 1 0.15813339 0.31967477 0.87282230 1.0 Ta Ta10 1 0.34186661 0.81967477 0.12717770 1.0 Ta Ta11 1 0.84186661 0.68032523 0.37282230 1.0 Ta Ta12 1 0.34186661 0.81967477 0.37282230 1.0 Ta Ta13 1 0.84186661 0.68032523 0.12717770 1.0 Ta Ta14 1 0.65813339 0.18032523 0.87282230 1.0 Ta Ta15 1 0.15813339 0.31967477 0.62717770 1.0 Ta Ta16 1 0.83005944 0.49543877 0.75000000 1.0 Ta Ta17 1 0.33005944 0.00456123 0.75000000 1.0 Ta Ta18 1 0.16994056 0.50456123 0.25000000 1.0 Ta Ta19 1 0.66994056 0.99543877 0.25000000 1.0 Be Be20 1 0.45190788 0.38473743 0.75000000 1.0 Be Be21 1 0.95190788 0.11526257 0.75000000 1.0 Be Be22 1 0.54809212 0.61526257 0.25000000 1.0 Be Be23 1 0.04809212 0.88473743 0.25000000 1.0 Si Si24 1 0.67065697 0.96644102 0.46339498 1.0 Si Si25 1 0.17065697 0.53355898 0.03660502 1.0 Si Si26 1 0.32934303 0.03355898 0.96339498 1.0 Si Si27 1 0.82934303 0.46644102 0.53660502 1.0 Si Si28 1 0.32934303 0.03355898 0.53660502 1.0 Si Si29 1 0.82934303 0.46644102 0.96339498 1.0 Si Si30 1 0.67065697 0.96644102 0.03660502 1.0 Si Si31 1 0.17065697 0.53355898 0.46339498 1.0 Si Si32 1 0.71090044 0.87351012 0.75000000 1.0 Si Si33 1 0.21090044 0.62648988 0.75000000 1.0 Si Si34 1 0.28909956 0.12648988 0.25000000 1.0 Si Si35 1 0.78909956 0.37351012 0.25000000 1.0