# generated using pymatgen data_Hf6Al16Pd7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69967440 _cell_length_b 8.69967532 _cell_length_c 8.69967665 _cell_angle_alpha 59.99999433 _cell_angle_beta 59.99999441 _cell_angle_gamma 59.99999029 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al16Pd7 _chemical_formula_sum 'Hf6 Al16 Pd7' _cell_volume 465.57975542 _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 Hf Hf0 1 0.68266449 0.68266399 0.31733591 1.0 Hf Hf1 1 0.31733576 0.68266389 0.31733607 1.0 Hf Hf2 1 0.68266366 0.31733608 0.31733656 1.0 Hf Hf3 1 0.31733561 0.31733590 0.68266399 1.0 Hf Hf4 1 0.68266464 0.31733573 0.68266373 1.0 Hf Hf5 1 0.31733553 0.68266473 0.68266386 1.0 Al Al6 1 0.87967464 0.87967464 0.36097662 1.0 Al Al7 1 0.87967488 0.36097651 0.87967465 1.0 Al Al8 1 0.36097663 0.87967477 0.87967450 1.0 Al Al9 1 0.87967478 0.87967452 0.87967470 1.0 Al Al10 1 0.12032543 0.12032548 0.63902335 1.0 Al Al11 1 0.12032524 0.63902336 0.12032537 1.0 Al Al12 1 0.63902347 0.12032535 0.12032540 1.0 Al Al13 1 0.12032522 0.12032552 0.12032525 1.0 Al Al14 1 0.66586734 0.66586704 0.00239885 1.0 Al Al15 1 0.66586724 0.00239834 0.66586739 1.0 Al Al16 1 0.00239873 0.66586707 0.66586730 1.0 Al Al17 1 0.66586751 0.66586727 0.66586749 1.0 Al Al18 1 0.33413282 0.33413288 0.99760110 1.0 Al Al19 1 0.33413290 0.99760132 0.33413265 1.0 Al Al20 1 0.99760154 0.33413275 0.33413263 1.0 Al Al21 1 0.33413260 0.33413240 0.33413265 1.0 Pd Pd22 1 0.00000034 0.00000023 -0.00000073 1.0 Pd Pd23 1 -0.00000006 0.00000015 0.50000052 1.0 Pd Pd24 1 0.49999988 0.00000029 0.50000003 1.0 Pd Pd25 1 0.00000043 0.49999896 0.50000065 1.0 Pd Pd26 1 0.49999979 0.50000008 0.00000046 1.0 Pd Pd27 1 -0.00000022 0.49999993 0.00000012 1.0 Pd Pd28 1 0.50000016 -0.00000018 -0.00000007 1.0