# generated using pymatgen data_YbZrB6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54857781 _cell_length_b 8.98514268 _cell_length_c 11.34278337 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbZrB6Ru _chemical_formula_sum 'Yb4 Zr4 B24 Ru4' _cell_volume 361.65872621 _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 Yb Yb0 1 0.00000000 0.32386360 0.41455044 1.0 Yb Yb1 1 0.00000000 0.67613640 0.58544956 1.0 Yb Yb2 1 0.00000000 0.82386360 0.08544956 1.0 Yb Yb3 1 0.00000000 0.17613640 0.91455044 1.0 Zr Zr4 1 0.00000000 0.94480395 0.37234041 1.0 Zr Zr5 1 0.00000000 0.05519605 0.62765959 1.0 Zr Zr6 1 0.00000000 0.44480395 0.12765959 1.0 Zr Zr7 1 0.00000000 0.55519605 0.87234041 1.0 B B8 1 0.50000000 0.55463050 0.43294837 1.0 B B9 1 0.50000000 0.44536950 0.56705163 1.0 B B10 1 0.50000000 0.05463050 0.06705163 1.0 B B11 1 0.50000000 0.94536950 0.93294837 1.0 B B12 1 0.50000000 0.75059883 0.41739565 1.0 B B13 1 0.50000000 0.24940117 0.58260435 1.0 B B14 1 0.50000000 0.25059883 0.08260435 1.0 B B15 1 0.50000000 0.74940117 0.91739565 1.0 B B16 1 0.50000000 0.79377349 0.26343460 1.0 B B17 1 0.50000000 0.20622651 0.73656540 1.0 B B18 1 0.50000000 0.29377349 0.23656540 1.0 B B19 1 0.50000000 0.70622651 0.76343460 1.0 B B20 1 0.50000000 0.63145401 0.18290485 1.0 B B21 1 0.50000000 0.36854599 0.81709515 1.0 B B22 1 0.50000000 0.13145401 0.31709515 1.0 B B23 1 0.50000000 0.86854599 0.68290485 1.0 B B24 1 0.50000000 0.98354214 0.21251911 1.0 B B25 1 0.50000000 0.01645786 0.78748089 1.0 B B26 1 0.50000000 0.48354214 0.28748089 1.0 B B27 1 0.50000000 0.51645786 0.71251911 1.0 B B28 1 0.50000000 0.60134768 0.02694391 1.0 B B29 1 0.50000000 0.39865232 0.97305609 1.0 B B30 1 0.50000000 0.10134768 0.47305609 1.0 B B31 1 0.50000000 0.89865232 0.52694391 1.0 Ru Ru32 1 0.00000000 0.64114702 0.31795101 1.0 Ru Ru33 1 0.00000000 0.35885298 0.68204899 1.0 Ru Ru34 1 0.00000000 0.14114702 0.18204899 1.0 Ru Ru35 1 0.00000000 0.85885298 0.81795101 1.0