# generated using pymatgen data_Nd(Al5Fe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84781702 _cell_length_b 6.84781702 _cell_length_c 9.09225900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.33794311 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(Al5Fe)2 _chemical_formula_sum 'Nd2 Al20 Fe4' _cell_volume 422.86779394 _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 Nd Nd0 1 0.87671400 0.12328600 0.75000000 1.0 Nd Nd1 1 0.12328600 0.87671400 0.25000000 1.0 Al Al2 1 0.62466400 0.37533600 0.54813200 1.0 Al Al3 1 0.37533600 0.62466400 0.45186800 1.0 Al Al4 1 0.37533600 0.62466400 0.04813200 1.0 Al Al5 1 0.62466400 0.37533600 0.95186800 1.0 Al Al6 1 0.22946700 0.22946700 0.50000000 1.0 Al Al7 1 0.77053300 0.77053300 0.50000000 1.0 Al Al8 1 0.77053300 0.77053300 0.00000000 1.0 Al Al9 1 0.22946700 0.22946700 0.00000000 1.0 Al Al10 1 0.83998400 0.16001600 0.09856100 1.0 Al Al11 1 0.16001600 0.83998400 0.90143900 1.0 Al Al12 1 0.16001600 0.83998400 0.59856100 1.0 Al Al13 1 0.83998400 0.16001600 0.40143900 1.0 Al Al14 1 0.86547300 0.58639000 0.75000000 1.0 Al Al15 1 0.13452700 0.41361000 0.25000000 1.0 Al Al16 1 0.41361000 0.13452700 0.75000000 1.0 Al Al17 1 0.58639000 0.86547300 0.25000000 1.0 Al Al18 1 0.22138600 0.48034900 0.75000000 1.0 Al Al19 1 0.77861400 0.51965100 0.25000000 1.0 Al Al20 1 0.51965100 0.77861400 0.75000000 1.0 Al Al21 1 0.48034900 0.22138600 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