# generated using pymatgen data_Y5Zr3(ReB6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62868535 _cell_length_b 9.06024138 _cell_length_c 11.45586527 _cell_angle_alpha 89.98132068 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Zr3(ReB6)4 _chemical_formula_sum 'Y5 Zr3 Re4 B24' _cell_volume 376.63177189 _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 Y Y0 1 0.00000000 0.32228551 0.41344526 1.0 Y Y1 1 0.00000000 0.67738988 0.58610162 1.0 Y Y2 1 0.00000000 0.82207370 0.08584642 1.0 Y Y3 1 0.00000000 0.17847036 0.91446831 1.0 Y Y4 1 0.00000000 0.94438217 0.37246555 1.0 Zr Zr5 1 0.00000000 0.05658388 0.63053180 1.0 Zr Zr6 1 0.00000000 0.44443961 0.12698146 1.0 Zr Zr7 1 0.00000000 0.55583906 0.87233806 1.0 Re Re8 1 0.00000000 0.63548465 0.31700783 1.0 Re Re9 1 0.00000000 0.36016807 0.68309345 1.0 Re Re10 1 0.00000000 0.14380526 0.17841323 1.0 Re Re11 1 0.00000000 0.85953801 0.81925787 1.0 B B12 1 0.50000000 0.55194565 0.43231589 1.0 B B13 1 0.50000000 0.44508979 0.56767988 1.0 B B14 1 0.50000000 0.05489686 0.06650601 1.0 B B15 1 0.50000000 0.94585813 0.93299270 1.0 B B16 1 0.50000000 0.74734894 0.41726414 1.0 B B17 1 0.50000000 0.24858058 0.58315320 1.0 B B18 1 0.50000000 0.25249311 0.08094123 1.0 B B19 1 0.50000000 0.74848863 0.91822212 1.0 B B20 1 0.50000000 0.79143865 0.26402798 1.0 B B21 1 0.50000000 0.20622459 0.73606119 1.0 B B22 1 0.50000000 0.29464198 0.23359566 1.0 B B23 1 0.50000000 0.70612150 0.76512435 1.0 B B24 1 0.50000000 0.62902448 0.18343745 1.0 B B25 1 0.50000000 0.37053698 0.81652027 1.0 B B26 1 0.50000000 0.13259713 0.31400061 1.0 B B27 1 0.50000000 0.86981818 0.68455353 1.0 B B28 1 0.50000000 0.98403051 0.21160179 1.0 B B29 1 0.50000000 0.01771275 0.78734814 1.0 B B30 1 0.50000000 0.48086852 0.28582086 1.0 B B31 1 0.50000000 0.51819278 0.71347290 1.0 B B32 1 0.50000000 0.60080308 0.02676229 1.0 B B33 1 0.50000000 0.40019949 0.97221912 1.0 B B34 1 0.50000000 0.10332057 0.47567472 1.0 B B35 1 0.50000000 0.89930795 0.53074915 1.0