# generated using pymatgen data_Zr3SnIr2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70822821 _cell_length_b 8.70831614 _cell_length_c 8.70823649 _cell_angle_alpha 60.00046490 _cell_angle_beta 60.00007889 _cell_angle_gamma 60.00014451 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3SnIr2N _chemical_formula_sum 'Zr12 Sn4 Ir8 N4' _cell_volume 466.96191866 _cell_formula_units_Z 4 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 0.81282495 0.81281835 0.18717685 1.0 Zr Zr1 1 0.18718747 0.18718476 0.81281289 1.0 Zr Zr2 1 0.81281821 0.18718483 0.81281445 1.0 Zr Zr3 1 0.18718223 0.81281749 0.18717816 1.0 Zr Zr4 1 0.18718023 0.81281949 0.81282112 1.0 Zr Zr5 1 0.81281721 0.18718683 0.18718051 1.0 Zr Zr6 1 0.43717505 0.43718165 0.06282315 1.0 Zr Zr7 1 0.06281253 0.06281524 0.43718711 1.0 Zr Zr8 1 0.43718179 0.06281517 0.43718555 1.0 Zr Zr9 1 0.06281777 0.43718251 0.06282184 1.0 Zr Zr10 1 0.06281977 0.43718051 0.43717888 1.0 Zr Zr11 1 0.43718279 0.06281317 0.06281949 1.0 Sn Sn12 1 0.12500000 0.62500000 0.62500000 1.0 Sn Sn13 1 0.62500000 0.12500000 0.62500000 1.0 Sn Sn14 1 0.62500000 0.62500000 0.12500000 1.0 Sn Sn15 1 0.62500000 0.62500000 0.62500000 1.0 Ir Ir16 1 0.77323464 0.40891581 0.40892477 1.0 Ir Ir17 1 0.40891665 0.77323921 0.40892207 1.0 Ir Ir18 1 0.40892105 0.40891456 0.77324065 1.0 Ir Ir19 1 0.40892105 0.40891256 0.40892173 1.0 Ir Ir20 1 0.47676536 0.84108419 0.84107523 1.0 Ir Ir21 1 0.84108335 0.47676079 0.84107793 1.0 Ir Ir22 1 0.84107895 0.84108544 0.47675935 1.0 Ir Ir23 1 0.84107895 0.84108744 0.84107827 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