# generated using pymatgen data_U(Al5Fe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71497083 _cell_length_b 6.71497083 _cell_length_c 8.87095549 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.00375187 _symmetry_Int_Tables_number 1 _chemical_formula_structural U(Al5Fe)2 _chemical_formula_sum 'U2 Al20 Fe4' _cell_volume 396.10236758 _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 0.12048157 0.87951843 0.25000000 1.0 U U1 1 0.87951843 0.12048157 0.75000000 1.0 Al Al2 1 0.21850286 0.47831644 0.75000000 1.0 Al Al3 1 0.37437345 0.62562655 0.04991747 1.0 Al Al4 1 0.84121268 0.15878732 0.40257238 1.0 Al Al5 1 0.13281593 0.41075750 0.25000000 1.0 Al Al6 1 0.52168356 0.78149714 0.75000000 1.0 Al Al7 1 0.62562655 0.37437345 0.95008253 1.0 Al Al8 1 0.78149714 0.52168356 0.25000000 1.0 Al Al9 1 0.62562655 0.37437345 0.54991747 1.0 Al Al10 1 0.15878732 0.84121268 0.59742762 1.0 Al Al11 1 0.58924250 0.86718407 0.25000000 1.0 Al Al12 1 0.41075750 0.13281593 0.75000000 1.0 Al Al13 1 0.47831644 0.21850286 0.25000000 1.0 Al Al14 1 0.77347320 0.77347320 0.50000000 1.0 Al Al15 1 0.77347320 0.77347320 0.00000000 1.0 Al Al16 1 0.86718407 0.58924250 0.75000000 1.0 Al Al17 1 0.84121268 0.15878732 0.09742762 1.0 Al Al18 1 0.37437345 0.62562655 0.45008253 1.0 Al Al19 1 0.15878732 0.84121268 0.90257238 1.0 Al Al20 1 0.22652680 0.22652680 0.00000000 1.0 Al Al21 1 0.22652680 0.22652680 0.50000000 1.0 Fe Fe22 1 -0.00000000 0.50000000 0.00000000 1.0 Fe Fe23 1 0.50000000 -0.00000000 0.50000000 1.0 Fe Fe24 1 -0.00000000 0.50000000 0.50000000 1.0 Fe Fe25 1 0.50000000 -0.00000000 0.00000000 1.0