# generated using pymatgen data_Mg4B12IrOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83659947 _cell_length_b 11.04496936 _cell_length_c 3.46826804 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4B12IrOs _chemical_formula_sum 'Mg8 B24 Ir2 Os2' _cell_volume 338.50285826 _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 0.82628862 0.09021850 0.00000000 1.0 Mg Mg1 1 0.44553563 0.12887798 0.00000000 1.0 Mg Mg2 1 0.94553563 0.37112202 0.00000000 1.0 Mg Mg3 1 0.32628862 0.40978150 0.00000000 1.0 Mg Mg4 1 0.67444168 0.58297677 0.00000000 1.0 Mg Mg5 1 0.05522223 0.62598341 0.00000000 1.0 Mg Mg6 1 0.55522323 0.87401659 0.00000000 1.0 Mg Mg7 1 0.17444268 0.91702323 0.00000000 1.0 B B8 1 0.59312629 0.02570480 0.50000100 1.0 B B9 1 0.05406984 0.06418422 0.50000100 1.0 B B10 1 0.25776589 0.08017594 0.50000100 1.0 B B11 1 0.63108087 0.18123464 0.50000100 1.0 B B12 1 0.97915604 0.21199125 0.50000100 1.0 B B13 1 0.29639741 0.23843691 0.50000100 1.0 B B14 1 0.79639741 0.26156309 0.50000100 1.0 B B15 1 0.47915504 0.28800875 0.50000100 1.0 B B16 1 0.13108087 0.31876536 0.50000100 1.0 B B17 1 0.75776589 0.41982406 0.50000100 1.0 B B18 1 0.55406884 0.43581578 0.50000100 1.0 B B19 1 0.09312529 0.47429520 0.50000100 1.0 B B20 1 0.90876536 0.52457396 0.50000100 1.0 B B21 1 0.44408434 0.56434244 0.50000100 1.0 B B22 1 0.24465570 0.57937752 0.50000100 1.0 B B23 1 0.86852145 0.67981420 0.50000100 1.0 B B24 1 0.51934060 0.71125966 0.50000100 1.0 B B25 1 0.20373825 0.73939152 0.50000100 1.0 B B26 1 0.70373925 0.76060848 0.50000100 1.0 B B27 1 0.01934160 0.78874034 0.50000100 1.0 B B28 1 0.36852245 0.82018580 0.50000100 1.0 B B29 1 0.74465570 0.92062248 0.50000100 1.0 B B30 1 0.94408534 0.93565756 0.50000100 1.0 B B31 1 0.40876636 0.97542604 0.50000100 1.0 Ir Ir32 1 0.35818668 0.68184020 0.00000000 1.0 Ir Ir33 1 0.85818768 0.81815980 0.00000000 1.0 Os Os34 1 0.13962511 0.17668967 0.00000000 1.0 Os Os35 1 0.63962411 0.32331033 0.00000000 1.0