# generated using pymatgen data_ScTi2Nb17Al10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99510064 _cell_length_b 9.99568073 _cell_length_c 5.20582571 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.88697782 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTi2Nb17Al10 _chemical_formula_sum 'Sc1 Ti2 Nb17 Al10' _cell_volume 520.10176289 _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 Sc Sc0 1 0.10342001 0.89678657 0.50000000 1.0 Ti Ti1 1 0.39668814 0.39602238 0.00000000 1.0 Ti Ti2 1 0.89194600 0.10758807 0.50000000 1.0 Nb Nb3 1 0.60181594 0.60145854 0.00000000 1.0 Nb Nb4 1 0.12851491 0.46285321 0.00000000 1.0 Nb Nb5 1 0.96326747 0.37109038 0.50000000 1.0 Nb Nb6 1 0.03340880 0.62419778 0.50000000 1.0 Nb Nb7 1 0.87123075 0.53505451 0.00000000 1.0 Nb Nb8 1 0.37682585 0.96524575 0.50000000 1.0 Nb Nb9 1 0.62991427 0.03536649 0.50000000 1.0 Nb Nb10 1 0.46559723 0.12971576 0.00000000 1.0 Nb Nb11 1 0.53791737 0.87235046 0.00000000 1.0 Nb Nb12 1 0.18195949 0.18269906 0.25141240 1.0 Nb Nb13 1 0.68023048 0.31884874 0.75305366 1.0 Nb Nb14 1 0.31951372 0.67945962 0.75350330 1.0 Nb Nb15 1 0.81817800 0.81895561 0.25218699 1.0 Nb Nb16 1 0.31951372 0.67945962 0.24649670 1.0 Nb Nb17 1 0.68023048 0.31884874 0.24694634 1.0 Nb Nb18 1 0.18195949 0.18269906 0.74858760 1.0 Nb Nb19 1 0.81817800 0.81895561 0.74781301 1.0 Al Al20 1 0.99787033 0.00278449 0.00000000 1.0 Al Al21 1 0.50082679 0.50066432 0.50000000 1.0 Al Al22 1 0.26621540 0.93369203 0.00000000 1.0 Al Al23 1 0.43375338 0.23799284 0.50000000 1.0 Al Al24 1 0.56747448 0.76088055 0.50000000 1.0 Al Al25 1 0.73721530 0.06783938 0.00000000 1.0 Al Al26 1 0.23754195 0.43322917 0.50000000 1.0 Al Al27 1 0.76044515 0.56710517 0.50000000 1.0 Al Al28 1 0.93215235 0.26361575 0.00000000 1.0 Al Al29 1 0.06619273 0.73454036 0.00000000 1.0