# generated using pymatgen data_HoZr3(BRu)16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.09864169 _cell_length_b 7.38872208 _cell_length_c 7.38872187 _cell_angle_alpha 89.98942608 _cell_angle_beta 113.96065624 _cell_angle_gamma 113.96065104 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoZr3(BRu)16 _chemical_formula_sum 'Ho1 Zr3 B16 Ru16' _cell_volume 406.65034566 _cell_formula_units_Z 1 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 0.24999900 0.12500000 0.87500000 1.0 Zr Zr1 1 0.75000000 0.87500000 0.12500000 1.0 Zr Zr2 1 0.24999900 0.62500000 0.37499900 1.0 Zr Zr3 1 0.75000000 0.37500000 0.62499900 1.0 B B4 1 0.91493914 0.28697020 0.07087248 1.0 B B5 1 0.41174413 0.56509009 0.12202259 1.0 B B6 1 0.08825587 0.21027946 0.15334596 1.0 B B7 1 0.58609558 0.15591625 0.21290311 1.0 B B8 1 0.41269528 0.06480336 0.28951718 1.0 B B9 1 0.91493914 0.62797094 0.34406766 1.0 B B10 1 0.58505986 0.65593134 0.37203006 1.0 B B11 1 0.08825587 0.87797741 0.43490991 1.0 B B12 1 0.91390342 0.12680753 0.56982068 1.0 B B13 1 0.41269528 0.34789192 0.62317811 1.0 B B14 1 0.08730472 0.37682189 0.65210808 1.0 B B15 1 0.58505986 0.92912652 0.71302980 1.0 B B16 1 0.41174413 0.84665404 0.78972054 1.0 B B17 1 0.91390342 0.78709589 0.84408275 1.0 B B18 1 0.58609558 0.43017932 0.87319147 1.0 B B19 1 0.08730472 0.71048282 0.93519664 1.0 Ru Ru20 1 0.87247609 0.54830930 0.03169810 1.0 Ru Ru21 1 0.37411188 0.83431129 0.05392733 1.0 Ru Ru22 1 0.12588812 0.94607267 0.16568871 1.0 Ru Ru23 1 0.62949112 0.46981612 0.17756655 1.0 Ru Ru24 1 0.37481951 0.33880191 0.32308984 1.0 Ru Ru25 1 0.87247609 0.32416779 0.34077898 1.0 Ru Ru26 1 0.62752491 0.96830290 0.45169070 1.0 Ru Ru27 1 0.12588812 0.17981545 0.46019841 1.0 Ru Ru28 1 0.87050988 0.82243545 0.53018388 1.0 Ru Ru29 1 0.37481951 0.03601760 0.55172867 1.0 Ru Ru30 1 0.12518049 0.67691116 0.66119809 1.0 Ru Ru31 1 0.62752491 0.65922202 0.67583221 1.0 Ru Ru32 1 0.37411188 0.53980159 0.82018455 1.0 Ru Ru33 1 0.87050988 0.04807443 0.84032500 1.0 Ru Ru34 1 0.62949112 0.15967500 0.95192457 1.0 Ru Ru35 1 0.12518049 0.44827133 0.96398240 1.0