# generated using pymatgen data_Zr8Ta12Al3Si13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89938818 _cell_length_b 6.88502675 _cell_length_c 12.72276042 _cell_angle_alpha 90.00015785 _cell_angle_beta 89.93948448 _cell_angle_gamma 90.07322646 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ta12Al3Si13 _chemical_formula_sum 'Zr8 Ta12 Al3 Si13' _cell_volume 604.36174194 _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 0.00197347 0.66401595 0.03115628 1.0 Zr Zr1 1 0.99991655 0.33868882 0.53099085 1.0 Zr Zr2 1 0.65753551 0.00037579 0.97014923 1.0 Zr Zr3 1 0.16325607 0.49983303 0.77953291 1.0 Zr Zr4 1 0.83652742 0.49956110 0.27902098 1.0 Zr Zr5 1 0.49842926 0.16077719 0.21865360 1.0 Zr Zr6 1 0.49939567 0.83656046 0.72145737 1.0 Zr Zr7 1 0.33846824 0.00004381 0.46874242 1.0 Ta Ta8 1 0.35236205 0.50287505 0.37486303 1.0 Ta Ta9 1 0.84409918 0.00034965 0.36833435 1.0 Ta Ta10 1 0.00467420 0.15276550 0.12922651 1.0 Ta Ta11 1 0.99981422 0.84397019 0.63156563 1.0 Ta Ta12 1 0.64798065 0.49731199 0.87619487 1.0 Ta Ta13 1 0.50272129 0.35226635 0.62502751 1.0 Ta Ta14 1 0.49459611 0.65229267 0.12382785 1.0 Ta Ta15 1 0.15671082 0.99976745 0.87193846 1.0 Ta Ta16 1 0.66586318 0.66523055 0.49995826 1.0 Ta Ta17 1 0.83079391 0.16941835 0.75027225 1.0 Ta Ta18 1 0.17154791 0.83234281 0.24756576 1.0 Ta Ta19 1 0.33407487 0.33013338 0.00106216 1.0 Al Al20 1 0.04208743 0.70279298 0.43578482 1.0 Al Al21 1 0.95762733 0.29935501 0.93643603 1.0 Al Al22 1 0.70201548 0.04140634 0.56349858 1.0 Si Si23 1 0.20052701 0.45634587 0.18675162 1.0 Si Si24 1 0.79920573 0.54349520 0.68693709 1.0 Si Si25 1 0.45678979 0.20088897 0.81322852 1.0 Si Si26 1 0.54434761 0.79908122 0.31376693 1.0 Si Si27 1 0.29692212 0.95672263 0.06272957 1.0 Si Si28 1 0.86367608 0.79182398 0.82384921 1.0 Si Si29 1 0.13577686 0.20978509 0.32310754 1.0 Si Si30 1 0.79089676 0.86389646 0.17719725 1.0 Si Si31 1 0.29186575 0.63669042 0.57071009 1.0 Si Si32 1 0.70902546 0.36513980 0.07168419 1.0 Si Si33 1 0.63629129 0.29178045 0.42879538 1.0 Si Si34 1 0.36338402 0.70647542 0.92873248 1.0 Si Si35 1 0.20882073 0.13574106 0.67725138 1.0