# generated using pymatgen data_ZnFe(B3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79666629 _cell_length_b 2.82678538 _cell_length_c 23.29993480 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFe(B3Ir4)2 _chemical_formula_sum 'Zn1 Fe1 B6 Ir8' _cell_volume 184.19939090 _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 Zn Zn0 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe1 1 0.50000000 0.00000000 0.50000000 1.0 B B2 1 0.50000000 0.00000000 0.37791654 1.0 B B3 1 0.00000000 0.00000000 0.12197459 1.0 B B4 1 0.00000000 0.00000000 0.87802541 1.0 B B5 1 0.00000000 0.50000000 0.24058985 1.0 B B6 1 0.00000000 0.50000000 0.75941015 1.0 B B7 1 0.50000000 0.00000000 0.62208346 1.0 Ir Ir8 1 0.50000000 0.50000000 0.91568888 1.0 Ir Ir9 1 0.50000000 0.00000000 0.19743264 1.0 Ir Ir10 1 0.00000000 0.00000000 0.69131130 1.0 Ir Ir11 1 0.50000000 0.00000000 0.80256736 1.0 Ir Ir12 1 0.50000000 0.50000000 0.08431112 1.0 Ir Ir13 1 0.00000000 0.00000000 0.30868870 1.0 Ir Ir14 1 0.00000000 0.50000000 0.41909040 1.0 Ir Ir15 1 0.00000000 0.50000000 0.58090960 1.0