# generated using pymatgen data_Pr(Al5Fe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86250871 _cell_length_b 6.86250871 _cell_length_c 9.12634600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.23642356 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr(Al5Fe)2 _chemical_formula_sum 'Pr2 Al20 Fe4' _cell_volume 426.37297076 _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 Pr Pr0 1 0.87620000 0.12380000 0.75000000 1.0 Pr Pr1 1 0.12380000 0.87620000 0.25000000 1.0 Al Al2 1 0.62486000 0.37514000 0.54671600 1.0 Al Al3 1 0.37514000 0.62486000 0.45328400 1.0 Al Al4 1 0.37514000 0.62486000 0.04671600 1.0 Al Al5 1 0.62486000 0.37514000 0.95328400 1.0 Al Al6 1 0.22932500 0.22932500 0.50000000 1.0 Al Al7 1 0.77067500 0.77067500 0.50000000 1.0 Al Al8 1 0.77067500 0.77067500 0.00000000 1.0 Al Al9 1 0.22932500 0.22932500 0.00000000 1.0 Al Al10 1 0.84028600 0.15971400 0.09803800 1.0 Al Al11 1 0.15971400 0.84028600 0.90196200 1.0 Al Al12 1 0.15971400 0.84028600 0.59803800 1.0 Al Al13 1 0.84028600 0.15971400 0.40196200 1.0 Al Al14 1 0.86640300 0.58646100 0.75000000 1.0 Al Al15 1 0.13359700 0.41353900 0.25000000 1.0 Al Al16 1 0.41353900 0.13359700 0.75000000 1.0 Al Al17 1 0.58646100 0.86640300 0.25000000 1.0 Al Al18 1 0.22151100 0.48000600 0.75000000 1.0 Al Al19 1 0.77848900 0.51999400 0.25000000 1.0 Al Al20 1 0.51999400 0.77848900 0.75000000 1.0 Al Al21 1 0.48000600 0.22151100 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