# generated using pymatgen data_Zr2Ti(NbGe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83359645 _cell_length_b 6.95220784 _cell_length_c 13.20811179 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ti(NbGe2)2 _chemical_formula_sum 'Zr8 Ti4 Nb8 Ge16' _cell_volume 627.49867194 _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 0.49249441 0.67549634 0.09432069 1.0 Zr Zr1 1 0.99249441 0.82450366 0.40567931 1.0 Zr Zr2 1 0.50750559 0.32450366 0.59432069 1.0 Zr Zr3 1 0.00750559 0.17549634 0.90567931 1.0 Zr Zr4 1 0.51106142 0.32575500 0.90612670 1.0 Zr Zr5 1 0.01106142 0.17424500 0.59387330 1.0 Zr Zr6 1 0.48893858 0.67424500 0.40612670 1.0 Zr Zr7 1 0.98893858 0.82575500 0.09387330 1.0 Ti Ti8 1 0.33928458 0.83019250 0.87517460 1.0 Ti Ti9 1 0.83928458 0.66980750 0.62482540 1.0 Ti Ti10 1 0.66071542 0.16980750 0.37517460 1.0 Ti Ti11 1 0.16071542 0.33019250 0.12482540 1.0 Nb Nb12 1 0.33270643 0.00783614 0.24899612 1.0 Nb Nb13 1 0.83270643 0.49216386 0.25100388 1.0 Nb Nb14 1 0.66729357 0.99216386 0.74899612 1.0 Nb Nb15 1 0.16729357 0.50783614 0.75100388 1.0 Nb Nb16 1 0.65719244 0.16866734 0.12420248 1.0 Nb Nb17 1 0.15719244 0.33133266 0.37579752 1.0 Nb Nb18 1 0.34280756 0.83133266 0.62420248 1.0 Nb Nb19 1 0.84280756 0.66866734 0.87579752 1.0 Ge Ge20 1 0.69472002 0.85730159 0.25184087 1.0 Ge Ge21 1 0.19472002 0.64269841 0.24815913 1.0 Ge Ge22 1 0.30527998 0.14269841 0.75184087 1.0 Ge Ge23 1 0.80527998 0.35730159 0.74815913 1.0 Ge Ge24 1 0.67673949 0.96063872 0.96010508 1.0 Ge Ge25 1 0.17673949 0.53936128 0.53989492 1.0 Ge Ge26 1 0.32326051 0.03936128 0.46010508 1.0 Ge Ge27 1 0.82326051 0.46063872 0.03989492 1.0 Ge Ge28 1 0.31407107 0.03886002 0.03682610 1.0 Ge Ge29 1 0.81407107 0.46113998 0.46317390 1.0 Ge Ge30 1 0.68592893 0.96113998 0.53682610 1.0 Ge Ge31 1 0.18592893 0.53886002 0.96317390 1.0 Ge Ge32 1 0.45903279 0.38290676 0.25061003 1.0 Ge Ge33 1 0.95903279 0.11709324 0.24938997 1.0 Ge Ge34 1 0.54096721 0.61709324 0.75061003 1.0 Ge Ge35 1 0.04096721 0.88290676 0.74938997 1.0