# generated using pymatgen data_Zr6Al7Pd16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71602354 _cell_length_b 8.71602356 _cell_length_c 8.71602429 _cell_angle_alpha 59.99999720 _cell_angle_beta 59.99999713 _cell_angle_gamma 59.99999816 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al7Pd16 _chemical_formula_sum 'Zr6 Al7 Pd16' _cell_volume 468.20947630 _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 Zr Zr0 1 0.70396617 0.70396617 0.29603383 1.0 Zr Zr1 1 0.29603383 0.70396617 0.29603383 1.0 Zr Zr2 1 0.70396617 0.29603383 0.29603383 1.0 Zr Zr3 1 0.29603383 0.29603383 0.70396617 1.0 Zr Zr4 1 0.70396617 0.29603383 0.70396617 1.0 Zr Zr5 1 0.29603383 0.70396617 0.70396617 1.0 Al Al6 1 0.00000000 0.00000000 0.00000000 1.0 Al Al7 1 0.00000000 0.00000000 0.50000000 1.0 Al Al8 1 0.50000000 0.00000000 0.50000000 1.0 Al Al9 1 0.00000000 0.50000000 0.50000000 1.0 Al Al10 1 0.50000000 0.50000000 0.00000000 1.0 Al Al11 1 0.00000000 0.50000000 0.00000000 1.0 Al Al12 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd13 1 0.88226198 0.88226198 0.35321506 1.0 Pd Pd14 1 0.88226198 0.35321506 0.88226198 1.0 Pd Pd15 1 0.35321506 0.88226198 0.88226198 1.0 Pd Pd16 1 0.88226198 0.88226198 0.88226198 1.0 Pd Pd17 1 0.11773802 0.11773802 0.64678494 1.0 Pd Pd18 1 0.11773802 0.64678494 0.11773802 1.0 Pd Pd19 1 0.64678494 0.11773802 0.11773802 1.0 Pd Pd20 1 0.11773802 0.11773802 0.11773802 1.0 Pd Pd21 1 0.66210194 0.66210194 0.01369418 1.0 Pd Pd22 1 0.66210194 0.01369418 0.66210194 1.0 Pd Pd23 1 0.01369418 0.66210194 0.66210194 1.0 Pd Pd24 1 0.66210194 0.66210194 0.66210194 1.0 Pd Pd25 1 0.33789806 0.33789806 0.98630582 1.0 Pd Pd26 1 0.33789806 0.98630582 0.33789806 1.0 Pd Pd27 1 0.98630582 0.33789806 0.33789806 1.0 Pd Pd28 1 0.33789806 0.33789806 0.33789806 1.0