# generated using pymatgen data_MgZn5(BIr2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83200327 _cell_length_b 10.14694409 _cell_length_c 13.47528867 _cell_angle_alpha 90.00000000 _cell_angle_beta 83.96814798 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZn5(BIr2)3 _chemical_formula_sum 'Mg2 Zn10 B6 Ir12' _cell_volume 385.08446691 _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 Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn2 1 0.91040086 0.61960767 0.17919929 1.0 Zn Zn3 1 0.91040086 0.88039233 0.17919929 1.0 Zn Zn4 1 0.82006044 0.75000000 0.35987912 1.0 Zn Zn5 1 0.76054193 0.11008549 0.47891413 1.0 Zn Zn6 1 0.76054193 0.38991451 0.47891413 1.0 Zn Zn7 1 0.23945707 0.61008549 0.52108587 1.0 Zn Zn8 1 0.23945707 0.88991451 0.52108587 1.0 Zn Zn9 1 0.17993856 0.25000000 0.64012088 1.0 Zn Zn10 1 0.08959914 0.11960867 0.82080071 1.0 Zn Zn11 1 0.08959914 0.38039233 0.82080071 1.0 B B12 1 0.95900847 0.25000000 0.08198407 1.0 B B13 1 0.85989320 0.10563367 0.28021260 1.0 B B14 1 0.85989320 0.39436633 0.28021260 1.0 B B15 1 0.14010680 0.60563267 0.71978640 1.0 B B16 1 0.14010680 0.89436733 0.71978640 1.0 B B17 1 0.04099153 0.75000000 0.91801593 1.0 Ir Ir18 1 0.48096975 0.75000000 0.03805951 1.0 Ir Ir19 1 0.42342347 0.11055110 0.15315206 1.0 Ir Ir20 1 0.42342347 0.38944990 0.15315206 1.0 Ir Ir21 1 0.33071378 0.53214674 0.33857244 1.0 Ir Ir22 1 0.33071378 0.96785326 0.33857244 1.0 Ir Ir23 1 0.32675690 0.25000000 0.34648720 1.0 Ir Ir24 1 0.67324210 0.75000000 0.65351380 1.0 Ir Ir25 1 0.66928622 0.03214574 0.66142756 1.0 Ir Ir26 1 0.66928622 0.46785326 0.66142756 1.0 Ir Ir27 1 0.57657553 0.61055010 0.84684794 1.0 Ir Ir28 1 0.57657553 0.88944990 0.84684794 1.0 Ir Ir29 1 0.51903025 0.25000000 0.96193949 1.0