# generated using pymatgen data_Zn2BIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.33932778 _cell_length_b 13.33932778 _cell_length_c 10.19081399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 167.85251983 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2BIr2 _chemical_formula_sum 'Zn12 B6 Ir12' _cell_volume 381.57672038 _cell_formula_units_Z 6 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 0.08878969 0.91121031 0.11967928 1.0 Zn Zn1 1 0.91121031 0.08878969 0.88032072 1.0 Zn Zn2 1 0.91121031 0.08878969 0.61967928 1.0 Zn Zn3 1 0.08878969 0.91121031 0.38032072 1.0 Zn Zn4 1 0.23911651 0.76088349 0.61050545 1.0 Zn Zn5 1 0.76088349 0.23911651 0.38949455 1.0 Zn Zn6 1 0.00000000 -0.00000000 -0.00000000 1.0 Zn Zn7 1 0.00000000 -0.00000000 0.50000000 1.0 Zn Zn8 1 0.81993123 0.18006877 0.75000000 1.0 Zn Zn9 1 0.18006877 0.81993123 0.25000000 1.0 Zn Zn10 1 0.23911651 0.76088349 0.88949455 1.0 Zn Zn11 1 0.76088349 0.23911651 0.11050545 1.0 B B12 1 0.13886056 0.86113944 0.60532508 1.0 B B13 1 0.86113944 0.13886056 0.39467492 1.0 B B14 1 0.86113944 0.13886056 0.10532508 1.0 B B15 1 0.13886056 0.86113944 0.89467492 1.0 B B16 1 0.95945447 0.04054553 0.25000000 1.0 B B17 1 0.04054553 0.95945447 0.75000000 1.0 Ir Ir18 1 0.33119789 0.66880211 0.53197659 1.0 Ir Ir19 1 0.66880211 0.33119789 0.46802341 1.0 Ir Ir20 1 0.66880211 0.33119789 0.03197659 1.0 Ir Ir21 1 0.33119789 0.66880211 0.96802341 1.0 Ir Ir22 1 0.51971343 0.48028657 0.25000000 1.0 Ir Ir23 1 0.48028657 0.51971343 0.75000000 1.0 Ir Ir24 1 0.32821467 0.67178533 0.25000000 1.0 Ir Ir25 1 0.67178533 0.32821467 0.75000000 1.0 Ir Ir26 1 0.57459984 0.42540016 0.60868300 1.0 Ir Ir27 1 0.42540016 0.57459984 0.39131700 1.0 Ir Ir28 1 0.42540016 0.57459984 0.10868300 1.0 Ir Ir29 1 0.57459984 0.42540016 0.89131700 1.0