# generated using pymatgen data_Zr8Ta12Be3Si13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82416773 _cell_length_b 6.82307149 _cell_length_c 12.56684983 _cell_angle_alpha 89.88203703 _cell_angle_beta 89.99528795 _cell_angle_gamma 89.71907963 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ta12Be3Si13 _chemical_formula_sum 'Zr8 Ta12 Be3 Si13' _cell_volume 585.12667620 _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 Zr Zr0 1 0.00095064 0.65719730 0.02973975 1.0 Zr Zr1 1 0.99865083 0.34195624 0.53076189 1.0 Zr Zr2 1 0.66105677 0.00147576 0.96871736 1.0 Zr Zr3 1 0.15494538 0.49537402 0.78301671 1.0 Zr Zr4 1 0.84257072 0.50225519 0.28446263 1.0 Zr Zr5 1 0.50100334 0.16063250 0.21859017 1.0 Zr Zr6 1 0.50178069 0.84287388 0.71583185 1.0 Zr Zr7 1 0.34225517 0.99839308 0.46936140 1.0 Ta Ta8 1 0.35036259 0.50333827 0.37675354 1.0 Ta Ta9 1 0.85204179 0.98694455 0.37798453 1.0 Ta Ta10 1 0.00654472 0.15204452 0.12612245 1.0 Ta Ta11 1 0.98667855 0.85202371 0.62219123 1.0 Ta Ta12 1 0.65210140 0.49511249 0.87580046 1.0 Ta Ta13 1 0.50269302 0.34974062 0.62352956 1.0 Ta Ta14 1 0.49793743 0.64969015 0.12348696 1.0 Ta Ta15 1 0.14717616 0.01106353 0.87505566 1.0 Ta Ta16 1 0.67234940 0.67276335 0.50013256 1.0 Ta Ta17 1 0.82786432 0.17178039 0.74967409 1.0 Ta Ta18 1 0.17152707 0.82797829 0.25156307 1.0 Ta Ta19 1 0.32769465 0.32940818 0.99992728 1.0 Be Be20 1 0.05177376 0.70097956 0.43892271 1.0 Be Be21 1 0.94921151 0.29801301 0.93820289 1.0 Be Be22 1 0.70037652 0.05150037 0.56203217 1.0 Si Si23 1 0.20116970 0.45463180 0.18730337 1.0 Si Si24 1 0.79825494 0.54584199 0.68543715 1.0 Si Si25 1 0.45375785 0.20165099 0.81272840 1.0 Si Si26 1 0.54639694 0.79871026 0.31470430 1.0 Si Si27 1 0.29899070 0.95297559 0.06332027 1.0 Si Si28 1 0.86402559 0.79358251 0.82113206 1.0 Si Si29 1 0.13518795 0.20661524 0.32416669 1.0 Si Si30 1 0.79531432 0.86301888 0.17901028 1.0 Si Si31 1 0.28442196 0.63901543 0.56824986 1.0 Si Si32 1 0.71547804 0.36244842 0.06742696 1.0 Si Si33 1 0.63948476 0.28468658 0.43251863 1.0 Si Si34 1 0.36253052 0.70912705 0.92585759 1.0 Si Si35 1 0.20544232 0.13515729 0.67628549 1.0