# generated using pymatgen data_Hf5Al16PIr7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61441748 _cell_length_b 8.66344214 _cell_length_c 8.66344279 _cell_angle_alpha 59.62595917 _cell_angle_beta 60.18702044 _cell_angle_gamma 60.18702060 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Al16PIr7 _chemical_formula_sum 'Hf5 Al16 P1 Ir7' _cell_volume 457.15581600 _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 0.31526060 0.68473940 0.68473940 1.0 Hf Hf1 1 0.29767429 0.70232571 0.29768274 1.0 Hf Hf2 1 0.70231726 0.29768274 0.70232571 1.0 Hf Hf3 1 0.29767429 0.29768274 0.70232571 1.0 Hf Hf4 1 0.70231726 0.70232571 0.29768274 1.0 Al Al5 1 0.36909885 0.33191905 0.33191905 1.0 Al Al6 1 0.67729753 0.65621225 0.65621225 1.0 Al Al7 1 0.34378775 0.32270247 0.98972304 1.0 Al Al8 1 0.34378775 0.98972304 0.32270247 1.0 Al Al9 1 0.66808095 0.63090115 0.03293595 1.0 Al Al10 1 0.66808095 0.03293595 0.63090115 1.0 Al Al11 1 0.96706405 0.33191905 0.33191905 1.0 Al Al12 1 0.01027696 0.65621225 0.65621225 1.0 Al Al13 1 0.11741984 0.11652480 0.11652480 1.0 Al Al14 1 0.88128185 0.87287327 0.87287327 1.0 Al Al15 1 0.12712673 0.11871815 0.62702838 1.0 Al Al16 1 0.12712673 0.62702838 0.11871815 1.0 Al Al17 1 0.88347520 0.88258016 0.35046844 1.0 Al Al18 1 0.88347520 0.35046844 0.88258016 1.0 Al Al19 1 0.64953156 0.11652480 0.11652480 1.0 Al Al20 1 0.37297162 0.87287327 0.87287327 1.0 P P21 1 0.52963779 0.47036221 0.47036221 1.0 Ir Ir22 1 0.51144747 0.98855253 0.98855253 1.0 Ir Ir23 1 0.01144747 0.48855253 0.48855253 1.0 Ir Ir24 1 0.01233877 0.49639863 0.98766123 1.0 Ir Ir25 1 0.50360137 0.98766123 0.49639863 1.0 Ir Ir26 1 0.01233877 0.98766123 0.49639863 1.0 Ir Ir27 1 0.50360137 0.49639863 0.98766123 1.0 Ir Ir28 1 0.01045778 0.98954222 0.98954222 1.0