# generated using pymatgen data_Zr12Al9Fe3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56530312 _cell_length_b 8.56530361 _cell_length_c 8.56616838 _cell_angle_alpha 60.00334337 _cell_angle_beta 60.00333659 _cell_angle_gamma 59.99999755 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr12Al9Fe3N4 _chemical_formula_sum 'Zr12 Al9 Fe3 N4' _cell_volume 444.40508791 _cell_formula_units_Z 1 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 Zr Zr0 1 0.81003957 0.81003957 0.19343467 1.0 Zr Zr1 1 0.19055862 0.19055862 0.80971447 1.0 Zr Zr2 1 0.80916828 0.19055862 0.80971447 1.0 Zr Zr3 1 0.18648519 0.81003957 0.19343467 1.0 Zr Zr4 1 0.19055862 0.80916828 0.80971447 1.0 Zr Zr5 1 0.81003957 0.18648519 0.19343467 1.0 Zr Zr6 1 0.43996043 0.43996043 0.05656533 1.0 Zr Zr7 1 0.05944138 0.05944138 0.44028553 1.0 Zr Zr8 1 0.44083172 0.05944138 0.44028553 1.0 Zr Zr9 1 0.06351481 0.43996043 0.05656533 1.0 Zr Zr10 1 0.05944138 0.44083172 0.44028553 1.0 Zr Zr11 1 0.43996043 0.06351481 0.05656533 1.0 Al Al12 1 0.62500000 0.62500000 0.12500000 1.0 Al Al13 1 0.73970835 0.41293631 0.43442003 1.0 Al Al14 1 0.41293631 0.73970835 0.43442003 1.0 Al Al15 1 0.41944798 0.41944798 0.74165606 1.0 Al Al16 1 0.41293631 0.41293631 0.43442003 1.0 Al Al17 1 0.51029165 0.83706369 0.81557997 1.0 Al Al18 1 0.83706369 0.51029165 0.81557997 1.0 Al Al19 1 0.83055202 0.83055202 0.50834394 1.0 Al Al20 1 0.83706369 0.83706369 0.81557997 1.0 Fe Fe21 1 0.12500000 0.62500000 0.62500000 1.0 Fe Fe22 1 0.62500000 0.12500000 0.62500000 1.0 Fe Fe23 1 0.62500000 0.62500000 0.62500000 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0