# generated using pymatgen data_Ti8Al10Si5Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53169696 _cell_length_b 8.53169581 _cell_length_c 8.53169667 _cell_angle_alpha 120.12453487 _cell_angle_beta 119.83046833 _cell_angle_gamma 90.03916352 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Al10Si5Ir7 _chemical_formula_sum 'Ti8 Al10 Si5 Ir7' _cell_volume 439.27366209 _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 Ti Ti0 1 0.79888998 0.29730369 0.09216286 1.0 Ti Ti1 1 0.20513984 0.29730369 0.49841471 1.0 Ti Ti2 1 0.20488223 0.70488223 0.50000000 1.0 Ti Ti3 1 0.20513984 0.70672612 0.90783714 1.0 Ti Ti4 1 0.79888998 0.70672612 0.50158529 1.0 Ti Ti5 1 0.79579940 0.29579940 0.50000000 1.0 Ti Ti6 1 0.37652928 0.12409672 0.74756743 1.0 Ti Ti7 1 0.37652928 0.62896185 0.25243257 1.0 Al Al8 1 0.83636758 0.66255210 0.82618552 1.0 Al Al9 1 0.83636758 0.01018306 0.17381448 1.0 Al Al10 1 0.83667275 0.66285002 0.17382273 1.0 Al Al11 1 0.48902728 0.66285002 0.82617727 1.0 Al Al12 1 0.37968824 0.12109686 0.25859338 1.0 Al Al13 1 0.86250448 0.12109686 0.74140662 1.0 Al Al14 1 0.61971938 0.88121652 0.26149714 1.0 Al Al15 1 0.61971938 0.35822224 0.73850286 1.0 Al Al16 1 0.62242177 0.88022538 0.74219739 1.0 Al Al17 1 0.13802699 0.88022538 0.25780261 1.0 Si Si18 1 0.00098416 0.50098416 0.50000000 1.0 Si Si19 1 0.15183074 0.34757953 0.19574680 1.0 Si Si20 1 0.15183074 0.95608394 0.80425320 1.0 Si Si21 1 0.14932340 0.34939317 0.79993022 1.0 Si Si22 1 0.54946195 0.34939317 0.20006978 1.0 Ir Ir23 1 0.00580644 0.00742496 0.51422263 1.0 Ir Ir24 1 0.49320233 0.00742496 0.00161752 1.0 Ir Ir25 1 0.49290240 0.49290240 1.00000000 1.0 Ir Ir26 1 0.49320233 0.49158381 0.48577737 1.0 Ir Ir27 1 0.00580644 0.49158381 0.99838248 1.0 Ir Ir28 1 0.00770627 0.00770627 0.00000000 1.0 Ir Ir29 1 0.49562158 0.99562158 0.50000000 1.0