# generated using pymatgen data_Zn5B3Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82277500 _cell_length_b 11.46564300 _cell_length_c 12.24320100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn5B3Ir7 _chemical_formula_sum 'Zn10 B6 Ir14' _cell_volume 396.25034847 _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 Zn Zn0 1 0.50000000 0.93681000 0.15726300 1.0 Zn Zn1 1 0.50000000 0.56319000 0.15726300 1.0 Zn Zn2 1 0.50000000 0.36569300 0.63927000 1.0 Zn Zn3 1 0.50000000 0.13430700 0.63927000 1.0 Zn Zn4 1 0.50000000 0.06319000 0.84273700 1.0 Zn Zn5 1 0.50000000 0.43681000 0.84273700 1.0 Zn Zn6 1 0.50000000 0.75000000 0.03426600 1.0 Zn Zn7 1 0.50000000 0.86569300 0.36073000 1.0 Zn Zn8 1 0.50000000 0.63430700 0.36073000 1.0 Zn Zn9 1 0.50000000 0.25000000 0.96573400 1.0 B B10 1 0.50000000 0.88081000 0.58887800 1.0 B B11 1 0.50000000 0.38081000 0.41112200 1.0 B B12 1 0.50000000 0.25000000 0.22629700 1.0 B B13 1 0.50000000 0.11919000 0.41112200 1.0 B B14 1 0.50000000 0.61919000 0.58887800 1.0 B B15 1 0.50000000 0.75000000 0.77370300 1.0 Ir Ir16 1 0.00000000 0.59349100 0.94246200 1.0 Ir Ir17 1 0.00000000 0.88681800 0.72424000 1.0 Ir Ir18 1 0.00000000 0.90650900 0.94246200 1.0 Ir Ir19 1 0.00000000 0.25000000 0.47541600 1.0 Ir Ir20 1 0.00000000 0.25000000 0.78436300 1.0 Ir Ir21 1 0.00000000 0.40650900 0.05753800 1.0 Ir Ir22 1 0.00000000 0.61318200 0.72424000 1.0 Ir Ir23 1 0.00000000 0.11318200 0.27576000 1.0 Ir Ir24 1 0.00000000 0.38681800 0.27576000 1.0 Ir Ir25 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.75000000 0.52458400 1.0 Ir Ir27 1 0.00000000 0.75000000 0.21563700 1.0 Ir Ir28 1 0.00000000 0.09349100 0.05753800 1.0 Ir Ir29 1 0.00000000 0.50000000 0.50000000 1.0