# generated using pymatgen data_U2(Al3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56246800 _cell_length_b 7.56246800 _cell_length_c 9.37322814 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.23326470 _symmetry_Int_Tables_number 1 _chemical_formula_structural U2(Al3Ir)3 _chemical_formula_sum 'U4 Al18 Ir6' _cell_volume 467.78980454 _cell_formula_units_Z 2 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 U U0 1 0.99313734 0.67027032 0.75000000 1.0 U U1 1 0.00686266 0.32972968 0.25000000 1.0 U U2 1 0.67027032 0.99313734 0.75000000 1.0 U U3 1 0.32972968 0.00686266 0.25000000 1.0 Al Al4 1 0.13226995 0.13226995 0.75000000 1.0 Al Al5 1 0.86773005 0.86773005 0.25000000 1.0 Al Al6 1 0.00355145 0.33626619 0.57339056 1.0 Al Al7 1 0.99644855 0.66373381 0.42660944 1.0 Al Al8 1 0.99644855 0.66373381 0.07339056 1.0 Al Al9 1 0.33626619 0.00355145 0.92660944 1.0 Al Al10 1 0.00355145 0.33626619 0.92660944 1.0 Al Al11 1 0.66373381 0.99644855 0.07339056 1.0 Al Al12 1 0.66373381 0.99644855 0.42660944 1.0 Al Al13 1 0.33626619 0.00355145 0.57339056 1.0 Al Al14 1 0.33493118 0.33493118 0.05066896 1.0 Al Al15 1 0.66506882 0.66506882 0.94933104 1.0 Al Al16 1 0.66506882 0.66506882 0.55066896 1.0 Al Al17 1 0.33493118 0.33493118 0.44933104 1.0 Al Al18 1 0.34123651 0.54839135 0.75000000 1.0 Al Al19 1 0.65876349 0.45160865 0.25000000 1.0 Al Al20 1 0.54839135 0.34123651 0.75000000 1.0 Al Al21 1 0.45160865 0.65876349 0.25000000 1.0 Ir Ir22 1 0.67276358 0.32723642 0.50000000 1.0 Ir Ir23 1 0.32723642 0.67276358 0.50000000 1.0 Ir Ir24 1 0.32723642 0.67276358 -0.00000000 1.0 Ir Ir25 1 0.67276358 0.32723642 -0.00000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir27 1 0.00000000 0.00000000 -0.00000000 1.0