# generated using pymatgen data_Nb2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18377702 _cell_length_b 9.99224409 _cell_length_c 9.99224409 _cell_angle_alpha 90.00040471 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Al _chemical_formula_sum 'Nb20 Al10' _cell_volume 517.57391566 _cell_formula_units_Z 10 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 Nb Nb0 1 -0.00000000 0.39649940 0.39649940 1.0 Nb Nb1 1 0.50000000 0.10351182 0.89648818 1.0 Nb Nb2 1 0.50000000 0.89648818 0.10351182 1.0 Nb Nb3 1 0.00000000 0.60350060 0.60350060 1.0 Nb Nb4 1 -0.00000000 0.46478468 0.12780853 1.0 Nb Nb5 1 0.50000000 0.37220148 0.96477653 1.0 Nb Nb6 1 0.50000000 0.62779852 0.03522347 1.0 Nb Nb7 1 -0.00000000 0.53521532 0.87219147 1.0 Nb Nb8 1 0.50000000 0.96477653 0.37220148 1.0 Nb Nb9 1 0.50000000 0.03522347 0.62779852 1.0 Nb Nb10 1 0.00000000 0.12780853 0.46478468 1.0 Nb Nb11 1 0.00000000 0.87219147 0.53521532 1.0 Nb Nb12 1 0.25245403 0.18141554 0.18141554 1.0 Nb Nb13 1 0.75248141 0.31859435 0.68140565 1.0 Nb Nb14 1 0.75248141 0.68140565 0.31859435 1.0 Nb Nb15 1 0.25245403 0.81858446 0.81858446 1.0 Nb Nb16 1 0.24751859 0.68140565 0.31859435 1.0 Nb Nb17 1 0.24751859 0.31859435 0.68140565 1.0 Nb Nb18 1 0.74754597 0.18141554 0.18141554 1.0 Nb Nb19 1 0.74754597 0.81858446 0.81858446 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 0.00000000 0.93293246 0.26127676 1.0 Al Al23 1 0.50000000 0.23872086 0.43293042 1.0 Al Al24 1 0.50000000 0.76127914 0.56706958 1.0 Al Al25 1 -0.00000000 0.06706754 0.73872324 1.0 Al Al26 1 0.50000000 0.43293042 0.23872086 1.0 Al Al27 1 0.50000000 0.56706958 0.76127914 1.0 Al Al28 1 -0.00000000 0.26127676 0.93293246 1.0 Al Al29 1 -0.00000000 0.73872324 0.06706754 1.0