# generated using pymatgen data_Al5Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98069751 _cell_length_b 7.98069799 _cell_length_c 7.83108068 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000207 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al5Ir2 _chemical_formula_sum 'Al20 Ir8' _cell_volume 431.95056605 _cell_formula_units_Z 4 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 Al Al0 1 0.00000000 0.00000000 0.00000000 1.0 Al Al1 1 0.00000000 0.00000000 0.50000000 1.0 Al Al2 1 0.47523153 0.95046106 0.25000000 1.0 Al Al3 1 0.52476847 0.47523153 0.75000000 1.0 Al Al4 1 0.95046106 0.47523153 0.75000000 1.0 Al Al5 1 0.04953894 0.52476847 0.25000000 1.0 Al Al6 1 0.47523153 0.52476847 0.25000000 1.0 Al Al7 1 0.52476847 0.04953894 0.75000000 1.0 Al Al8 1 0.18900403 0.37800805 0.93631868 1.0 Al Al9 1 0.81099597 0.18900403 0.43631868 1.0 Al Al10 1 0.37800805 0.18900403 0.43631868 1.0 Al Al11 1 0.62199195 0.81099597 0.93631868 1.0 Al Al12 1 0.18900403 0.81099597 0.93631868 1.0 Al Al13 1 0.81099597 0.62199195 0.06368132 1.0 Al Al14 1 0.81099597 0.18900403 0.06368132 1.0 Al Al15 1 0.81099597 0.62199195 0.43631868 1.0 Al Al16 1 0.37800805 0.18900403 0.06368132 1.0 Al Al17 1 0.62199195 0.81099597 0.56368132 1.0 Al Al18 1 0.18900403 0.37800805 0.56368132 1.0 Al Al19 1 0.18900403 0.81099597 0.56368132 1.0 Ir Ir20 1 0.33333300 0.66666700 0.75000000 1.0 Ir Ir21 1 0.66666700 0.33333300 0.25000000 1.0 Ir Ir22 1 0.13185080 0.26370161 0.25000000 1.0 Ir Ir23 1 0.86814920 0.13185080 0.75000000 1.0 Ir Ir24 1 0.26370161 0.13185080 0.75000000 1.0 Ir Ir25 1 0.73629839 0.86814920 0.25000000 1.0 Ir Ir26 1 0.13185080 0.86814920 0.25000000 1.0 Ir Ir27 1 0.86814920 0.73629839 0.75000000 1.0