# generated using pymatgen data_NbTe5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77773100 _cell_length_b 14.00160100 _cell_length_c 15.77879700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTe5Pd _chemical_formula_sum 'Nb4 Te20 Pd4' _cell_volume 834.60814046 _cell_formula_units_Z 4 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 0.25000000 0.25400400 0.84187600 1.0 Nb Nb1 1 0.75000000 0.74599600 0.15812400 1.0 Nb Nb2 1 0.75000000 0.75400400 0.65812400 1.0 Nb Nb3 1 0.25000000 0.24599600 0.34187600 1.0 Te Te4 1 0.75000000 0.14368900 0.93797100 1.0 Te Te5 1 0.25000000 0.85631100 0.06202900 1.0 Te Te6 1 0.25000000 0.64368900 0.56202900 1.0 Te Te7 1 0.75000000 0.35631100 0.43797100 1.0 Te Te8 1 0.25000000 0.34164600 0.00905900 1.0 Te Te9 1 0.75000000 0.65835400 0.99094100 1.0 Te Te10 1 0.75000000 0.84164600 0.49094100 1.0 Te Te11 1 0.25000000 0.15835400 0.50905900 1.0 Te Te12 1 0.75000000 0.09061500 0.34858100 1.0 Te Te13 1 0.25000000 0.90938500 0.65141900 1.0 Te Te14 1 0.25000000 0.59061500 0.15141900 1.0 Te Te15 1 0.75000000 0.40938500 0.84858100 1.0 Te Te16 1 0.75000000 0.15363100 0.73929400 1.0 Te Te17 1 0.25000000 0.84636900 0.26070600 1.0 Te Te18 1 0.25000000 0.65363100 0.76070600 1.0 Te Te19 1 0.75000000 0.34636900 0.23929400 1.0 Te Te20 1 0.25000000 0.35992800 0.68054000 1.0 Te Te21 1 0.75000000 0.64007200 0.31946000 1.0 Te Te22 1 0.75000000 0.85992800 0.81946000 1.0 Te Te23 1 0.25000000 0.14007200 0.18054000 1.0 Pd Pd24 1 0.75000000 0.26118500 0.59234900 1.0 Pd Pd25 1 0.25000000 0.73881500 0.40765100 1.0 Pd Pd26 1 0.25000000 0.76118500 0.90765100 1.0 Pd Pd27 1 0.75000000 0.23881500 0.09234900 1.0