# generated using pymatgen data_Ti8Al2Ga13Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61746727 _cell_length_b 8.61746621 _cell_length_c 8.61746689 _cell_angle_alpha 120.14028255 _cell_angle_beta 119.82783373 _cell_angle_gamma 90.02782621 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Al2Ga13Ir7 _chemical_formula_sum 'Ti8 Al2 Ga13 Ir7' _cell_volume 452.61027403 _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 0.79622701 0.29228939 0.07497383 1.0 Ti Ti1 1 0.21731556 0.29228939 0.49606338 1.0 Ti Ti2 1 0.20386775 0.70386775 0.50000000 1.0 Ti Ti3 1 0.21731556 0.72125318 0.92502617 1.0 Ti Ti4 1 0.79622701 0.72125318 0.50393662 1.0 Ti Ti5 1 0.77913364 0.27913364 0.50000000 1.0 Ti Ti6 1 0.37769837 0.12518744 0.74748907 1.0 Ti Ti7 1 0.37769837 0.63020829 0.25251093 1.0 Al Al8 1 0.62081733 0.87544246 0.74537487 1.0 Al Al9 1 0.13006559 0.87544246 0.25462513 1.0 Ga Ga10 1 0.99228056 0.49228056 0.50000000 1.0 Ga Ga11 1 0.15254159 0.34968882 0.19714524 1.0 Ga Ga12 1 0.15254159 0.95539635 0.80285476 1.0 Ga Ga13 1 0.14843565 0.35284918 0.79558647 1.0 Ga Ga14 1 0.55726071 0.35284918 0.20441353 1.0 Ga Ga15 1 0.85081818 0.64862931 0.79781213 1.0 Ga Ga16 1 0.85081818 0.05300604 0.20218787 1.0 Ga Ga17 1 0.84891476 0.65159383 0.19732093 1.0 Ga Ga18 1 0.45427390 0.65159383 0.80267907 1.0 Ga Ga19 1 0.37637903 0.12122738 0.25515264 1.0 Ga Ga20 1 0.86607674 0.12122738 0.74484736 1.0 Ga Ga21 1 0.61976603 0.87321290 0.25344687 1.0 Ga Ga22 1 0.61976603 0.36632016 0.74655313 1.0 Ir Ir23 1 0.00255520 0.00139881 0.50189132 1.0 Ir Ir24 1 0.49950748 0.00139881 0.99884361 1.0 Ir Ir25 1 0.49764250 0.49764250 0.00000000 1.0 Ir Ir26 1 0.49950748 0.50066287 0.49810868 1.0 Ir Ir27 1 0.00255520 0.50066287 0.00115639 1.0 Ir Ir28 1 0.99907073 0.99907073 0.00000000 1.0 Ir Ir29 1 0.49292031 0.99292031 0.50000000 1.0