# generated using pymatgen data_Zr3BeIr2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39769789 _cell_length_b 8.39769849 _cell_length_c 8.39769720 _cell_angle_alpha 60.00000119 _cell_angle_beta 59.99999886 _cell_angle_gamma 59.99999709 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3BeIr2N _chemical_formula_sum 'Zr12 Be4 Ir8 N4' _cell_volume 418.76051789 _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 0.80450220 0.80450220 0.19549780 1.0 Zr Zr1 1 0.19549780 0.19549780 0.80450220 1.0 Zr Zr2 1 0.80450220 0.19549780 0.80450220 1.0 Zr Zr3 1 0.19549780 0.80450220 0.19549780 1.0 Zr Zr4 1 0.19549780 0.80450220 0.80450220 1.0 Zr Zr5 1 0.80450220 0.19549780 0.19549780 1.0 Zr Zr6 1 0.44549780 0.44549780 0.05450220 1.0 Zr Zr7 1 0.05450220 0.05450220 0.44549780 1.0 Zr Zr8 1 0.44549780 0.05450220 0.44549780 1.0 Zr Zr9 1 0.05450220 0.44549780 0.05450220 1.0 Zr Zr10 1 0.05450220 0.44549780 0.44549780 1.0 Zr Zr11 1 0.44549780 0.05450220 0.05450220 1.0 Be Be12 1 0.12500000 0.62500000 0.62500000 1.0 Be Be13 1 0.62500000 0.12500000 0.62500000 1.0 Be Be14 1 0.62500000 0.62500000 0.12500000 1.0 Be Be15 1 0.62500000 0.62500000 0.62500000 1.0 Ir Ir16 1 0.74774414 0.41741895 0.41741895 1.0 Ir Ir17 1 0.41741895 0.74774414 0.41741895 1.0 Ir Ir18 1 0.41741895 0.41741895 0.74774414 1.0 Ir Ir19 1 0.41741895 0.41741895 0.41741895 1.0 Ir Ir20 1 0.50225586 0.83258105 0.83258105 1.0 Ir Ir21 1 0.83258105 0.50225586 0.83258105 1.0 Ir Ir22 1 0.83258105 0.83258105 0.50225586 1.0 Ir Ir23 1 0.83258105 0.83258105 0.83258105 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