# generated using pymatgen data_TaTi4(Nb3Al2)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96058066 _cell_length_b 9.94089920 _cell_length_c 5.14824697 _cell_angle_alpha 90.02274826 _cell_angle_beta 90.00543282 _cell_angle_gamma 90.11206367 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi4(Nb3Al2)5 _chemical_formula_sum 'Ta1 Ti4 Nb15 Al10' _cell_volume 509.76361362 _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 0.12970286 0.46452638 0.99916977 1.0 Ti Ti1 1 0.18065764 0.18167572 0.25255365 1.0 Ti Ti2 1 0.68050439 0.31904054 0.75262769 1.0 Ti Ti3 1 0.31898570 0.67970036 0.75278195 1.0 Ti Ti4 1 0.81935087 0.81960673 0.25249323 1.0 Nb Nb5 1 0.39777769 0.39630028 0.00103832 1.0 Nb Nb6 1 0.89659724 0.10326930 0.50129621 1.0 Nb Nb7 1 0.10326959 0.89690717 0.50098712 1.0 Nb Nb8 1 0.60405316 0.60345644 0.00045955 1.0 Nb Nb9 1 0.96539634 0.37145131 0.49934045 1.0 Nb Nb10 1 0.03605465 0.62838989 0.49827454 1.0 Nb Nb11 1 0.86938950 0.53577700 0.99895269 1.0 Nb Nb12 1 0.37038130 0.96425040 0.49917854 1.0 Nb Nb13 1 0.62891886 0.03551958 0.49889824 1.0 Nb Nb14 1 0.46473158 0.12916297 0.99899755 1.0 Nb Nb15 1 0.53487908 0.87058254 0.99880137 1.0 Nb Nb16 1 0.31809667 0.68022817 0.24633137 1.0 Nb Nb17 1 0.68126491 0.31828067 0.24726390 1.0 Nb Nb18 1 0.18115182 0.18267135 0.74818978 1.0 Nb Nb19 1 0.81876752 0.81907841 0.74718595 1.0 Al Al20 1 0.00008198 0.00031160 0.00189614 1.0 Al Al21 1 0.50020333 0.49988036 0.50157616 1.0 Al Al22 1 0.26045625 0.93299317 0.00019253 1.0 Al Al23 1 0.43308244 0.23904814 0.50051974 1.0 Al Al24 1 0.56682417 0.76072434 0.50002331 1.0 Al Al25 1 0.73934050 0.06675461 0.00020364 1.0 Al Al26 1 0.23958641 0.43309396 0.50038435 1.0 Al Al27 1 0.76076590 0.56701359 0.50012890 1.0 Al Al28 1 0.93316514 0.26150760 0.00068638 1.0 Al Al29 1 0.06656053 0.73879741 0.99956900 1.0