# generated using pymatgen data_Er(Al5Fe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69268843 _cell_length_b 6.69268843 _cell_length_c 8.85937910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.39386680 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er(Al5Fe)2 _chemical_formula_sum 'Er2 Al20 Fe4' _cell_volume 393.53033966 _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 Er Er0 1 0.87405931 0.12594069 0.75000000 1.0 Er Er1 1 0.12594069 0.87405931 0.25000000 1.0 Al Al2 1 0.62546398 0.37453602 0.54964623 1.0 Al Al3 1 0.37453602 0.62546398 0.45035377 1.0 Al Al4 1 0.37453602 0.62546398 0.04964623 1.0 Al Al5 1 0.62546398 0.37453602 0.95035377 1.0 Al Al6 1 0.22747829 0.22747829 0.50000000 1.0 Al Al7 1 0.77252171 0.77252171 0.50000000 1.0 Al Al8 1 0.77252171 0.77252171 0.00000000 1.0 Al Al9 1 0.22747829 0.22747829 0.00000000 1.0 Al Al10 1 0.84161637 0.15838363 0.09675810 1.0 Al Al11 1 0.15838363 0.84161637 0.90324190 1.0 Al Al12 1 0.15838363 0.84161637 0.59675810 1.0 Al Al13 1 0.84161637 0.15838363 0.40324190 1.0 Al Al14 1 0.86619776 0.58627214 0.75000000 1.0 Al Al15 1 0.13380224 0.41372786 0.25000000 1.0 Al Al16 1 0.41372786 0.13380224 0.75000000 1.0 Al Al17 1 0.58627214 0.86619776 0.25000000 1.0 Al Al18 1 0.21904811 0.47851813 0.75000000 1.0 Al Al19 1 0.78095189 0.52148187 0.25000000 1.0 Al Al20 1 0.52148187 0.78095189 0.75000000 1.0 Al Al21 1 0.47851813 0.21904811 0.25000000 1.0 Fe Fe22 1 -0.00000000 0.50000000 0.50000000 1.0 Fe Fe23 1 -0.00000000 0.50000000 0.00000000 1.0 Fe Fe24 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe25 1 0.50000000 0.00000000 0.50000000 1.0