# generated using pymatgen data_Hf6Ti3Al13Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69567078 _cell_length_b 8.69567011 _cell_length_c 8.69567149 _cell_angle_alpha 59.89709785 _cell_angle_beta 59.89710842 _cell_angle_gamma 59.89710816 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Ti3Al13Ir7 _chemical_formula_sum 'Hf6 Ti3 Al13 Ir7' _cell_volume 463.85182523 _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 0.68865642 0.68865642 0.30922092 1.0 Hf Hf1 1 0.31393148 0.68387407 0.31393148 1.0 Hf Hf2 1 0.68387407 0.31393148 0.31393148 1.0 Hf Hf3 1 0.31393148 0.31393148 0.68387407 1.0 Hf Hf4 1 0.68865642 0.30922092 0.68865642 1.0 Hf Hf5 1 0.30922092 0.68865642 0.68865642 1.0 Ti Ti6 1 0.87943669 0.87943669 0.36028888 1.0 Ti Ti7 1 0.87943669 0.36028888 0.87943669 1.0 Ti Ti8 1 0.36028888 0.87943669 0.87943669 1.0 Al Al9 1 0.88146285 0.88146285 0.88146285 1.0 Al Al10 1 0.11925736 0.11925736 0.64033466 1.0 Al Al11 1 0.11925736 0.64033466 0.11925736 1.0 Al Al12 1 0.64033466 0.11925736 0.11925736 1.0 Al Al13 1 0.12104392 0.12104392 0.12104392 1.0 Al Al14 1 0.66489190 0.66489190 0.00974121 1.0 Al Al15 1 0.66489190 0.00974121 0.66489190 1.0 Al Al16 1 0.00974121 0.66489190 0.66489190 1.0 Al Al17 1 0.66110687 0.66110687 0.66110687 1.0 Al Al18 1 0.33642771 0.33642771 0.99154093 1.0 Al Al19 1 0.33642771 0.99154093 0.33642771 1.0 Al Al20 1 0.99154093 0.33642771 0.33642771 1.0 Al Al21 1 0.33568221 0.33568221 0.33568221 1.0 Ir Ir22 1 0.00179730 0.00179730 0.00179730 1.0 Ir Ir23 1 0.99903509 0.99903509 0.49825500 1.0 Ir Ir24 1 0.50209796 0.99817894 0.50209796 1.0 Ir Ir25 1 0.99817894 0.50209796 0.50209796 1.0 Ir Ir26 1 0.50209796 0.50209796 0.99817894 1.0 Ir Ir27 1 0.99903509 0.49825500 0.99903509 1.0 Ir Ir28 1 0.49825500 0.99903509 0.99903509 1.0