# generated using pymatgen data_Zr8Ta9Ti3Ge16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82007496 _cell_length_b 6.92730340 _cell_length_c 13.16641148 _cell_angle_alpha 90.00499016 _cell_angle_beta 90.03707549 _cell_angle_gamma 89.96389414 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ta9Ti3Ge16 _chemical_formula_sum 'Zr8 Ta9 Ti3 Ge16' _cell_volume 622.04327859 _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 0.48816099 0.67448619 0.59342846 1.0 Zr Zr1 1 0.98759295 0.82577190 0.90681512 1.0 Zr Zr2 1 0.51242198 0.32529142 0.09235809 1.0 Zr Zr3 1 0.01232624 0.17490528 0.40684735 1.0 Zr Zr4 1 0.51012901 0.32593859 0.40606377 1.0 Zr Zr5 1 0.00989750 0.17644632 0.09295874 1.0 Zr Zr6 1 0.49107764 0.67597352 0.90604331 1.0 Zr Zr7 1 0.99014415 0.82315839 0.59319563 1.0 Ta Ta8 1 0.84055625 0.66906808 0.37582605 1.0 Ta Ta9 1 0.34409269 0.83133736 0.37558105 1.0 Ta Ta10 1 0.84284134 0.66771333 0.12413016 1.0 Ta Ta11 1 0.65664778 0.16835103 0.87573284 1.0 Ta Ta12 1 0.15669563 0.33112021 0.62491968 1.0 Ta Ta13 1 0.83314969 0.49169951 0.74973709 1.0 Ta Ta14 1 0.33292077 0.00843605 0.75072335 1.0 Ta Ta15 1 0.16548419 0.50885044 0.25014323 1.0 Ta Ta16 1 0.66709035 0.99021451 0.25120257 1.0 Ti Ti17 1 0.65854723 0.16803442 0.62516552 1.0 Ti Ti18 1 0.16022645 0.33134004 0.87571733 1.0 Ti Ti19 1 0.34040794 0.83187311 0.12409245 1.0 Ge Ge20 1 0.68339629 0.96454682 0.46343725 1.0 Ge Ge21 1 0.18573949 0.54022535 0.03760938 1.0 Ge Ge22 1 0.31441303 0.03940925 0.96195023 1.0 Ge Ge23 1 0.81374974 0.45726510 0.53979611 1.0 Ge Ge24 1 0.32096310 0.03931485 0.53999140 1.0 Ge Ge25 1 0.82219020 0.46036419 0.95987434 1.0 Ge Ge26 1 0.67863126 0.96013258 0.03971940 1.0 Ge Ge27 1 0.18049781 0.53919709 0.46132515 1.0 Ge Ge28 1 0.45893144 0.38293760 0.74947954 1.0 Ge Ge29 1 0.95884799 0.11711725 0.75125158 1.0 Ge Ge30 1 0.53852995 0.61603503 0.24724678 1.0 Ge Ge31 1 0.04325416 0.88536069 0.24876875 1.0 Ge Ge32 1 0.69378114 0.85619576 0.74840613 1.0 Ge Ge33 1 0.19345216 0.64380298 0.75217777 1.0 Ge Ge34 1 0.30738026 0.14482531 0.24809263 1.0 Ge Ge35 1 0.80583120 0.35325746 0.25019378 1.0