# generated using pymatgen data_TaTi11(NbSi2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68220167 _cell_length_b 6.68220158 _cell_length_c 12.25586323 _cell_angle_alpha 89.98460711 _cell_angle_beta 90.01539059 _cell_angle_gamma 90.02650885 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi11(NbSi2)8 _chemical_formula_sum 'Ta1 Ti11 Nb8 Si16' _cell_volume 547.24648281 _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 Ta Ta0 1 0.33023072 0.33023072 0.00000000 1.0 Ti Ti1 1 0.16917894 0.83142640 0.25047140 1.0 Ti Ti2 1 0.83142640 0.16917894 0.74952860 1.0 Ti Ti3 1 0.66934579 0.66934579 0.50000000 1.0 Ti Ti4 1 0.15298265 0.00425914 0.87132488 1.0 Ti Ti5 1 0.49581683 0.65263979 0.12200175 1.0 Ti Ti6 1 0.50361386 0.34763461 0.62103310 1.0 Ti Ti7 1 0.65263979 0.49581683 0.87799825 1.0 Ti Ti8 1 0.34763461 0.50361386 0.37896690 1.0 Ti Ti9 1 0.84741487 0.99627062 0.37166630 1.0 Ti Ti10 1 0.00425914 0.15298265 0.12867512 1.0 Ti Ti11 1 0.99627062 0.84741487 0.62833370 1.0 Nb Nb12 1 0.34192666 0.99384646 0.47109734 1.0 Nb Nb13 1 0.50684219 0.84077511 0.72085050 1.0 Nb Nb14 1 0.49354720 0.15772695 0.22151095 1.0 Nb Nb15 1 0.84077511 0.50684219 0.27914950 1.0 Nb Nb16 1 0.15772695 0.49354720 0.77848905 1.0 Nb Nb17 1 0.65901540 0.00591216 0.97138193 1.0 Nb Nb18 1 0.99384646 0.34192666 0.52890266 1.0 Nb Nb19 1 0.00591216 0.65901540 0.02861807 1.0 Si Si20 1 0.20798083 0.13633886 0.67196308 1.0 Si Si21 1 0.36449888 0.70958419 0.92160926 1.0 Si Si22 1 0.63645857 0.29178708 0.42270938 1.0 Si Si23 1 0.70958419 0.36449888 0.07839074 1.0 Si Si24 1 0.29178708 0.63645857 0.57729062 1.0 Si Si25 1 0.79198519 0.86386863 0.17325966 1.0 Si Si26 1 0.13633886 0.20798083 0.32803692 1.0 Si Si27 1 0.86386863 0.79198519 0.82674034 1.0 Si Si28 1 0.29660636 0.95286517 0.06356585 1.0 Si Si29 1 0.54464838 0.79748202 0.31341024 1.0 Si Si30 1 0.45718331 0.20100420 0.81103837 1.0 Si Si31 1 0.79748202 0.54464838 0.68658976 1.0 Si Si32 1 0.20100420 0.45718331 0.18896163 1.0 Si Si33 1 0.70257803 0.04471797 0.56282748 1.0 Si Si34 1 0.95286517 0.29660636 0.93643415 1.0 Si Si35 1 0.04471797 0.70257803 0.43717252 1.0