# generated using pymatgen data_Li2Hf6(Al2Pd)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71004733 _cell_length_b 8.69654242 _cell_length_c 8.69654360 _cell_angle_alpha 59.94811059 _cell_angle_beta 59.94861729 _cell_angle_gamma 59.94861527 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Hf6(Al2Pd)7 _chemical_formula_sum 'Li2 Hf6 Al14 Pd7' _cell_volume 465.25467164 _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 0.88056119 0.88225671 0.35662192 1.0 Li Li1 1 0.88056119 0.35662192 0.88225671 1.0 Hf Hf2 1 0.68142603 0.68227306 0.31716610 1.0 Hf Hf3 1 0.31913481 0.68227306 0.31716610 1.0 Hf Hf4 1 0.67975417 0.32024583 0.32024583 1.0 Hf Hf5 1 0.31913481 0.31716610 0.68227306 1.0 Hf Hf6 1 0.68142603 0.31716610 0.68227306 1.0 Hf Hf7 1 0.31801045 0.68198955 0.68198955 1.0 Al Al8 1 0.35846467 0.88125783 0.88125783 1.0 Al Al9 1 0.87902167 0.88125783 0.88125783 1.0 Al Al10 1 0.11604752 0.12499852 0.64290544 1.0 Al Al11 1 0.11604752 0.64290544 0.12499852 1.0 Al Al12 1 0.64473293 0.12118808 0.12118808 1.0 Al Al13 1 0.11289092 0.12118808 0.12118808 1.0 Al Al14 1 0.66829900 0.65870144 0.00470155 1.0 Al Al15 1 0.66829900 0.00470155 0.65870144 1.0 Al Al16 1 0.00098925 0.66345222 0.66345222 1.0 Al Al17 1 0.67210731 0.66345222 0.66345222 1.0 Al Al18 1 0.33569892 0.33316035 0.99544081 1.0 Al Al19 1 0.33569892 0.99544081 0.33316035 1.0 Al Al20 1 0.99210313 0.33496589 0.33496589 1.0 Al Al21 1 0.33796410 0.33496589 0.33496589 1.0 Pd Pd22 1 0.00385969 0.99614031 0.99614031 1.0 Pd Pd23 1 0.00297069 0.99827913 0.50596888 1.0 Pd Pd24 1 0.49278030 0.99827913 0.50596888 1.0 Pd Pd25 1 0.00378484 0.49621516 0.49621516 1.0 Pd Pd26 1 0.49278030 0.50596888 0.99827913 1.0 Pd Pd27 1 0.00297069 0.50596888 0.99827913 1.0 Pd Pd28 1 0.50248096 0.99751904 0.99751904 1.0