# generated using pymatgen data_Nb9As7Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.79421763 _cell_length_b 16.79421763 _cell_length_c 3.59794100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999855 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb9As7Pd _chemical_formula_sum 'Nb27 As21 Pd3' _cell_volume 878.82869546 _cell_formula_units_Z 3 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 0.46663300 0.75454600 0.00000000 1.0 Nb Nb1 1 0.24545400 0.71208700 0.00000000 1.0 Nb Nb2 1 0.02946000 0.67453800 0.00000000 1.0 Nb Nb3 1 0.32546200 0.35492200 0.00000000 1.0 Nb Nb4 1 0.50496400 0.57718600 0.00000000 1.0 Nb Nb5 1 0.64507800 0.97054000 0.00000000 1.0 Nb Nb6 1 0.31414000 0.20245800 0.50000000 1.0 Nb Nb7 1 0.88831800 0.68586000 0.50000000 1.0 Nb Nb8 1 0.79754200 0.11168200 0.50000000 1.0 Nb Nb9 1 0.87345800 0.00494800 0.00000000 1.0 Nb Nb10 1 0.99505200 0.86851000 0.00000000 1.0 Nb Nb11 1 0.13149000 0.12654200 0.00000000 1.0 Nb Nb12 1 0.68257000 0.79912800 0.00000000 1.0 Nb Nb13 1 0.20087200 0.88344200 0.00000000 1.0 Nb Nb14 1 0.11655800 0.31743000 0.00000000 1.0 Nb Nb15 1 0.35595500 0.02995100 0.50000000 1.0 Nb Nb16 1 0.42281400 0.92777700 0.00000000 1.0 Nb Nb17 1 0.07222300 0.49503600 0.00000000 1.0 Nb Nb18 1 0.92773100 0.50541600 0.50000000 1.0 Nb Nb19 1 0.49458400 0.42231500 0.50000000 1.0 Nb Nb20 1 0.57768500 0.07226900 0.50000000 1.0 Nb Nb21 1 0.75397200 0.28759400 0.50000000 1.0 Nb Nb22 1 0.71240600 0.46637700 0.50000000 1.0 Nb Nb23 1 0.53362300 0.24602800 0.50000000 1.0 Nb Nb24 1 0.97004900 0.32600400 0.50000000 1.0 Nb Nb25 1 0.67399600 0.64404500 0.50000000 1.0 Nb Nb26 1 0.28791300 0.53336700 0.00000000 1.0 As As27 1 0.00000000 0.00000000 0.50000000 1.0 As As28 1 0.33333300 0.66666700 0.50000000 1.0 As As29 1 0.66666700 0.33333300 0.00000000 1.0 As As30 1 0.88472700 0.37352000 0.00000000 1.0 As As31 1 0.62648000 0.51120600 0.00000000 1.0 As As32 1 0.48879400 0.11527300 0.00000000 1.0 As As33 1 0.71045200 0.15715800 0.00000000 1.0 As As34 1 0.84284200 0.55329400 0.00000000 1.0 As As35 1 0.44670600 0.28954800 0.00000000 1.0 As As36 1 0.92709100 0.19518200 0.00000000 1.0 As As37 1 0.80481800 0.73190900 0.00000000 1.0 As As38 1 0.26809100 0.07290900 0.00000000 1.0 As As39 1 0.51218200 0.88561100 0.50000000 1.0 As As40 1 0.11438900 0.62657100 0.50000000 1.0 As As41 1 0.37342900 0.48781800 0.50000000 1.0 As As42 1 0.73695400 0.93048100 0.50000000 1.0 As As43 1 0.06951900 0.80647300 0.50000000 1.0 As As44 1 0.19352700 0.26304600 0.50000000 1.0 As As45 1 0.55278700 0.70962200 0.50000000 1.0 As As46 1 0.29037800 0.84316500 0.50000000 1.0 As As47 1 0.15683500 0.44721300 0.50000000 1.0 Pd Pd48 1 0.84483100 0.85045100 0.50000000 1.0 Pd Pd49 1 0.14954900 0.99437900 0.50000000 1.0 Pd Pd50 1 0.00562100 0.15516900 0.50000000 1.0