# generated using pymatgen data_Ti21Re25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45308800 _cell_length_b 14.76805591 _cell_length_c 14.76805543 _cell_angle_alpha 116.44860864 _cell_angle_beta 100.99928139 _cell_angle_gamma 100.99928102 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti21Re25 _chemical_formula_sum 'Ti42 Re50' _cell_volume 1538.46613025 _cell_formula_units_Z 2 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 Ti Ti0 1 0.94589300 0.39178600 0.69589300 1.0 Ti Ti1 1 0.55410700 0.30410700 0.60821400 1.0 Ti Ti2 1 0.25000000 0.30410700 0.69589300 1.0 Ti Ti3 1 0.44589300 0.69589300 0.39178600 1.0 Ti Ti4 1 0.75000000 0.69589300 0.30410700 1.0 Ti Ti5 1 0.05410700 0.60821400 0.30410700 1.0 Ti Ti6 1 0.22129900 0.77143300 0.53666000 1.0 Ti Ti7 1 0.44986600 0.76522700 0.22856700 1.0 Ti Ti8 1 0.68463900 0.46334000 0.23477300 1.0 Ti Ti9 1 0.72129900 0.53666000 0.77143300 1.0 Ti Ti10 1 0.18463900 0.23477300 0.46334000 1.0 Ti Ti11 1 0.94986600 0.22856700 0.76522700 1.0 Ti Ti12 1 0.77870100 0.22856700 0.46334000 1.0 Ti Ti13 1 0.55013400 0.23477300 0.77143300 1.0 Ti Ti14 1 0.31536100 0.53666000 0.76522700 1.0 Ti Ti15 1 0.27870100 0.46334000 0.22856700 1.0 Ti Ti16 1 0.81536100 0.76522700 0.53666000 1.0 Ti Ti17 1 0.05013400 0.77143300 0.23477300 1.0 Ti Ti18 1 0.42936200 0.11651800 0.88397700 1.0 Ti Ti19 1 0.31284400 0.76745900 0.88348200 1.0 Ti Ti20 1 0.54538500 0.11602300 0.23254100 1.0 Ti Ti21 1 0.92936200 0.88397700 0.11651800 1.0 Ti Ti22 1 0.04538500 0.23254100 0.11602300 1.0 Ti Ti23 1 0.81284400 0.88348200 0.76745900 1.0 Ti Ti24 1 0.57063800 0.88348200 0.11602300 1.0 Ti Ti25 1 0.68715600 0.23254100 0.11651800 1.0 Ti Ti26 1 0.45461500 0.88397700 0.76745900 1.0 Ti Ti27 1 0.07063800 0.11602300 0.88348200 1.0 Ti Ti28 1 0.95461500 0.76745900 0.88397700 1.0 Ti Ti29 1 0.18715600 0.11651800 0.23254100 1.0 Ti Ti30 1 0.45580300 0.51525300 0.09323700 1.0 Ti Ti31 1 0.94055100 0.57798500 0.48474700 1.0 Ti Ti32 1 0.36256600 0.90676300 0.42201500 1.0 Ti Ti33 1 0.95580300 0.09323700 0.51525300 1.0 Ti Ti34 1 0.86256600 0.42201500 0.90676300 1.0 Ti Ti35 1 0.44055100 0.48474700 0.57798500 1.0 Ti Ti36 1 0.54419700 0.48474700 0.90676300 1.0 Ti Ti37 1 0.05944900 0.42201500 0.51525300 1.0 Ti Ti38 1 0.63743400 0.09323700 0.57798500 1.0 Ti Ti39 1 0.04419700 0.90676300 0.48474700 1.0 Ti Ti40 1 0.13743400 0.57798500 0.09323700 1.0 Ti Ti41 1 0.55944900 0.51525300 0.42201500 1.0 Re Re42 1 0.50000000 0.00000000 0.00000000 1.0 Re Re43 1 0.00000000 0.00000000 0.00000000 1.0 Re Re44 1 0.31133400 0.12266700 0.06133400 1.0 Re Re45 1 0.18866600 0.93866600 0.87733300 1.0 Re Re46 1 0.25000000 0.93866600 0.06133400 1.0 Re Re47 1 0.81133400 0.06133400 0.12266700 1.0 Re Re48 1 0.75000000 0.06133400 0.93866600 1.0 Re Re49 1 0.68866600 0.87733300 0.93866600 1.0 Re Re50 1 0.69071600 0.88143200 0.44071600 1.0 Re Re51 1 0.80928400 0.55928400 0.11856800 1.0 Re Re52 1 0.25000000 0.55928400 0.44071600 1.0 Re Re53 1 0.19071600 0.44071600 0.88143200 1.0 Re Re54 1 0.75000000 0.44071600 0.55928400 1.0 Re Re55 1 0.30928400 0.11856800 0.55928400 1.0 Re Re56 1 0.13067200 0.93714500 0.69728200 1.0 Re Re57 1 0.19352700 0.76013700 0.06285500 1.0 Re Re58 1 0.43339000 0.30271800 0.23986300 1.0 Re Re59 1 0.63067200 0.69728200 0.93714500 1.0 Re Re60 1 0.93339000 0.23986300 0.30271800 1.0 Re Re61 1 0.69352700 0.06285500 0.76013700 1.0 Re Re62 1 0.86932800 0.06285500 0.30271800 1.0 Re Re63 1 0.80647300 0.23986300 0.93714500 1.0 Re Re64 1 0.56661000 0.69728200 0.76013700 1.0 Re Re65 1 0.36932800 0.30271800 0.06285500 1.0 Re Re66 1 0.06661000 0.76013700 0.69728200 1.0 Re Re67 1 0.30647300 0.93714500 0.23986300 1.0 Re Re68 1 0.31549400 0.29389500 0.88019900 1.0 Re Re69 1 0.02159900 0.58630400 0.70610500 1.0 Re Re70 1 0.43529500 0.11980100 0.41369600 1.0 Re Re71 1 0.81549400 0.88019900 0.29389500 1.0 Re Re72 1 0.93529500 0.41369600 0.11980100 1.0 Re Re73 1 0.52159900 0.70610500 0.58630400 1.0 Re Re74 1 0.68450600 0.70610500 0.11980100 1.0 Re Re75 1 0.97840100 0.41369600 0.29389500 1.0 Re Re76 1 0.56470500 0.88019900 0.58630400 1.0 Re Re77 1 0.18450600 0.11980100 0.70610500 1.0 Re Re78 1 0.06470500 0.58630400 0.88019900 1.0 Re Re79 1 0.47840100 0.29389500 0.41369600 1.0 Re Re80 1 0.62049000 0.35768400 0.00290300 1.0 Re Re81 1 0.26280600 0.64521900 0.64231600 1.0 Re Re82 1 0.61758700 0.99709700 0.35478100 1.0 Re Re83 1 0.12049000 0.00290300 0.35768400 1.0 Re Re84 1 0.11758700 0.35478100 0.99709700 1.0 Re Re85 1 0.76280600 0.64231600 0.64521900 1.0 Re Re86 1 0.37951000 0.64231600 0.99709700 1.0 Re Re87 1 0.73719400 0.35478100 0.35768400 1.0 Re Re88 1 0.38241300 0.00290300 0.64521900 1.0 Re Re89 1 0.87951000 0.99709700 0.64231600 1.0 Re Re90 1 0.88241300 0.64521900 0.00290300 1.0 Re Re91 1 0.23719400 0.35768400 0.35478100 1.0