# generated using pymatgen data_Zr4TaGe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14948609 _cell_length_b 7.14948609 _cell_length_c 13.11153663 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4TaGe4 _chemical_formula_sum 'Zr16 Ta4 Ge16' _cell_volume 670.19817929 _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 Zr Zr0 1 0.99797940 0.83716200 0.52802117 1.0 Zr Zr1 1 0.00202060 0.16283800 0.02802117 1.0 Zr Zr2 1 0.83716200 0.00202060 0.27802117 1.0 Zr Zr3 1 0.16283800 0.99797940 0.77802117 1.0 Zr Zr4 1 0.65599424 0.50296495 0.97196661 1.0 Zr Zr5 1 0.34400576 0.49703505 0.47196661 1.0 Zr Zr6 1 0.50296495 0.34400576 0.72196661 1.0 Zr Zr7 1 0.49703505 0.65599424 0.22196661 1.0 Zr Zr8 1 0.65595590 0.00177619 0.87827788 1.0 Zr Zr9 1 0.34404410 0.99822381 0.37827788 1.0 Zr Zr10 1 0.00177619 0.34404410 0.62827788 1.0 Zr Zr11 1 0.99822381 0.65595590 0.12827788 1.0 Zr Zr12 1 0.83236293 0.67064497 0.74942748 1.0 Zr Zr13 1 0.16763707 0.32935503 0.24942748 1.0 Zr Zr14 1 0.67064497 0.16763707 0.49942748 1.0 Zr Zr15 1 0.32935503 0.83236293 0.99942748 1.0 Ta Ta16 1 0.50696448 0.84152301 0.62199052 1.0 Ta Ta17 1 0.49303552 0.15847699 0.12199052 1.0 Ta Ta18 1 0.84152301 0.49303552 0.37199052 1.0 Ta Ta19 1 0.15847699 0.50696448 0.87199052 1.0 Ge Ge20 1 0.70107575 0.54006355 0.56405721 1.0 Ge Ge21 1 0.29892425 0.45993645 0.06405721 1.0 Ge Ge22 1 0.54006355 0.29892425 0.31405721 1.0 Ge Ge23 1 0.45993645 0.70107575 0.81405721 1.0 Ge Ge24 1 0.96260686 0.80033645 0.93345883 1.0 Ge Ge25 1 0.03739314 0.19966355 0.43345883 1.0 Ge Ge26 1 0.80033645 0.03739314 0.68345883 1.0 Ge Ge27 1 0.19966355 0.96260686 0.18345883 1.0 Ge Ge28 1 0.63985427 0.79109906 0.42252632 1.0 Ge Ge29 1 0.36014573 0.20890094 0.92252632 1.0 Ge Ge30 1 0.79109906 0.36014573 0.17252632 1.0 Ge Ge31 1 0.20890094 0.63985427 0.67252632 1.0 Ge Ge32 1 0.69693297 0.86792582 0.08027599 1.0 Ge Ge33 1 0.30306703 0.13207418 0.58027599 1.0 Ge Ge34 1 0.86792582 0.30306703 0.83027599 1.0 Ge Ge35 1 0.13207418 0.69693297 0.33027599 1.0