# generated using pymatgen data_Sc2Nb8Al5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11747051 _cell_length_b 10.11747051 _cell_length_c 5.22448646 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Nb8Al5 _chemical_formula_sum 'Sc4 Nb16 Al10' _cell_volume 534.79520211 _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 Sc Sc0 1 0.39364718 0.39364718 0.00000000 1.0 Sc Sc1 1 0.89364718 0.10635282 0.50000000 1.0 Sc Sc2 1 0.10635282 0.89364718 0.50000000 1.0 Sc Sc3 1 0.60635282 0.60635282 0.00000000 1.0 Nb Nb4 1 0.12396485 0.46568603 0.00000000 1.0 Nb Nb5 1 0.96568603 0.37603515 0.50000000 1.0 Nb Nb6 1 0.03431397 0.62396485 0.50000000 1.0 Nb Nb7 1 0.87603515 0.53431397 0.00000000 1.0 Nb Nb8 1 0.37603515 0.96568603 0.50000000 1.0 Nb Nb9 1 0.62396485 0.03431397 0.50000000 1.0 Nb Nb10 1 0.46568603 0.12396485 0.00000000 1.0 Nb Nb11 1 0.53431397 0.87603515 0.00000000 1.0 Nb Nb12 1 0.18233422 0.18233422 0.25112546 1.0 Nb Nb13 1 0.68233422 0.31766578 0.75112546 1.0 Nb Nb14 1 0.31766578 0.68233422 0.75112546 1.0 Nb Nb15 1 0.81766578 0.81766578 0.25112546 1.0 Nb Nb16 1 0.31766578 0.68233422 0.24887454 1.0 Nb Nb17 1 0.68233422 0.31766578 0.24887454 1.0 Nb Nb18 1 0.18233422 0.18233422 0.74887454 1.0 Nb Nb19 1 0.81766578 0.81766578 0.74887454 1.0 Al Al20 1 0.00000000 0.00000000 0.00000000 1.0 Al Al21 1 0.50000000 0.50000000 0.50000000 1.0 Al Al22 1 0.26489534 0.93369269 0.00000000 1.0 Al Al23 1 0.43369269 0.23510466 0.50000000 1.0 Al Al24 1 0.56630731 0.76489534 0.50000000 1.0 Al Al25 1 0.73510466 0.06630731 0.00000000 1.0 Al Al26 1 0.23510466 0.43369269 0.50000000 1.0 Al Al27 1 0.76489534 0.56630731 0.50000000 1.0 Al Al28 1 0.93369269 0.26489534 0.00000000 1.0 Al Al29 1 0.06630731 0.73510466 0.00000000 1.0