# generated using pymatgen data_HoMgB6Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53409204 _cell_length_b 8.89404086 _cell_length_c 11.28726958 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoMgB6Ir _chemical_formula_sum 'Ho4 Mg4 B24 Ir4' _cell_volume 354.78550930 _cell_formula_units_Z 4 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 Ho Ho0 1 0.50000000 0.31834679 0.41429010 1.0 Ho Ho1 1 0.50000000 0.68165321 0.58570990 1.0 Ho Ho2 1 0.50000000 0.18165321 0.91429010 1.0 Ho Ho3 1 0.50000000 0.81834679 0.08570990 1.0 Mg Mg4 1 0.50000000 0.44764375 0.11869841 1.0 Mg Mg5 1 0.50000000 0.55235625 0.88130159 1.0 Mg Mg6 1 0.50000000 0.05235625 0.61869841 1.0 Mg Mg7 1 0.50000000 0.94764375 0.38130159 1.0 B B8 1 0.00000000 0.10055705 0.47271121 1.0 B B9 1 0.00000000 0.89944295 0.52728879 1.0 B B10 1 0.00000000 0.39944295 0.97271121 1.0 B B11 1 0.00000000 0.60055705 0.02728879 1.0 B B12 1 0.00000000 0.12786418 0.31908505 1.0 B B13 1 0.00000000 0.87213582 0.68091495 1.0 B B14 1 0.00000000 0.37213582 0.81908505 1.0 B B15 1 0.00000000 0.62786418 0.18091495 1.0 B B16 1 0.00000000 0.05561144 0.06715095 1.0 B B17 1 0.00000000 0.94438856 0.93284905 1.0 B B18 1 0.00000000 0.44438856 0.56715095 1.0 B B19 1 0.00000000 0.55561144 0.43284905 1.0 B B20 1 0.00000000 0.48121881 0.28459056 1.0 B B21 1 0.00000000 0.51878119 0.71540944 1.0 B B22 1 0.00000000 0.01878119 0.78459056 1.0 B B23 1 0.00000000 0.98121881 0.21540944 1.0 B B24 1 0.00000000 0.25511940 0.07985209 1.0 B B25 1 0.00000000 0.74488060 0.92014791 1.0 B B26 1 0.00000000 0.24488060 0.57985209 1.0 B B27 1 0.00000000 0.75511940 0.42014791 1.0 B B28 1 0.00000000 0.29356901 0.23485622 1.0 B B29 1 0.00000000 0.70643099 0.76514378 1.0 B B30 1 0.00000000 0.20643099 0.73485622 1.0 B B31 1 0.00000000 0.79356901 0.26514378 1.0 Ir Ir32 1 0.50000000 0.14001289 0.18141459 1.0 Ir Ir33 1 0.50000000 0.85998711 0.81858541 1.0 Ir Ir34 1 0.50000000 0.35998711 0.68141459 1.0 Ir Ir35 1 0.50000000 0.64001289 0.31858541 1.0