# generated using pymatgen data_Pa(Al5Fe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69392672 _cell_length_b 6.69392738 _cell_length_c 8.88994190 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.13031190 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa(Al5Fe)2 _chemical_formula_sum 'Pa2 Al20 Fe4' _cell_volume 394.34258921 _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 Pa Pa0 1 0.87618669 0.12381331 0.75000000 1.0 Pa Pa1 1 0.12381331 0.87618669 0.25000000 1.0 Al Al2 1 0.62557778 0.37442222 0.54812218 1.0 Al Al3 1 0.37442222 0.62557778 0.45187782 1.0 Al Al4 1 0.37442222 0.62557778 0.04812218 1.0 Al Al5 1 0.62557778 0.37442222 0.95187782 1.0 Al Al6 1 0.22488613 0.22488613 0.50000000 1.0 Al Al7 1 0.77511387 0.77511387 0.50000000 1.0 Al Al8 1 0.77511387 0.77511387 0.00000000 1.0 Al Al9 1 0.22488613 0.22488613 0.00000000 1.0 Al Al10 1 0.84292799 0.15707201 0.09897225 1.0 Al Al11 1 0.15707201 0.84292799 0.90102775 1.0 Al Al12 1 0.15707201 0.84292799 0.59897225 1.0 Al Al13 1 0.84292799 0.15707201 0.40102775 1.0 Al Al14 1 0.86580005 0.59171310 0.75000000 1.0 Al Al15 1 0.13419995 0.40828690 0.25000000 1.0 Al Al16 1 0.40828690 0.13419995 0.75000000 1.0 Al Al17 1 0.59171310 0.86580005 0.25000000 1.0 Al Al18 1 0.22042517 0.47970931 0.75000000 1.0 Al Al19 1 0.77957483 0.52029069 0.25000000 1.0 Al Al20 1 0.52029069 0.77957483 0.75000000 1.0 Al Al21 1 0.47970931 0.22042517 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