# generated using pymatgen data_Li2Zr6(Al2Pd)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75368336 _cell_length_b 8.74080802 _cell_length_c 8.74080808 _cell_angle_alpha 59.98287878 _cell_angle_beta 59.95125715 _cell_angle_gamma 59.95125817 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Zr6(Al2Pd)7 _chemical_formula_sum 'Li2 Zr6 Al14 Pd7' _cell_volume 472.50075033 _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 Li Li0 1 0.88081574 0.88178676 0.35658376 1.0 Li Li1 1 0.88081574 0.35658376 0.88178676 1.0 Zr Zr2 1 0.68609876 0.68646895 0.31266392 1.0 Zr Zr3 1 0.31476838 0.68646895 0.31266392 1.0 Zr Zr4 1 0.68334909 0.31665091 0.31665091 1.0 Zr Zr5 1 0.31476838 0.31266392 0.68646895 1.0 Zr Zr6 1 0.68609876 0.31266392 0.68646895 1.0 Zr Zr7 1 0.31454218 0.68545782 0.68545782 1.0 Al Al8 1 0.35835288 0.88120578 0.88120578 1.0 Al Al9 1 0.87923657 0.88120578 0.88120578 1.0 Al Al10 1 0.11622980 0.12445712 0.64308328 1.0 Al Al11 1 0.11622980 0.64308328 0.12445712 1.0 Al Al12 1 0.64446364 0.12110912 0.12110912 1.0 Al Al13 1 0.11331612 0.12110912 0.12110912 1.0 Al Al14 1 0.66907514 0.66025805 0.00159267 1.0 Al Al15 1 0.66907514 0.00159267 0.66025805 1.0 Al Al16 1 0.99739392 0.66480498 0.66480498 1.0 Al Al17 1 0.67299511 0.66480498 0.66480498 1.0 Al Al18 1 0.33465244 0.33201378 0.99868234 1.0 Al Al19 1 0.33465244 0.99868234 0.33201378 1.0 Al Al20 1 0.99566311 0.33389460 0.33389460 1.0 Al Al21 1 0.33654869 0.33389460 0.33389460 1.0 Pd Pd22 1 0.00394967 0.99605033 0.99605033 1.0 Pd Pd23 1 0.00296450 0.99824224 0.50625091 1.0 Pd Pd24 1 0.49254236 0.99824224 0.50625091 1.0 Pd Pd25 1 0.00353628 0.49646372 0.49646372 1.0 Pd Pd26 1 0.49254236 0.50625091 0.99824224 1.0 Pd Pd27 1 0.00296450 0.50625091 0.99824224 1.0 Pd Pd28 1 0.50236350 0.99763650 0.99763650 1.0