# generated using pymatgen data_Pr(BRu)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27694202 _cell_length_b 9.27694202 _cell_length_c 9.27694202 _cell_angle_alpha 131.79820033 _cell_angle_beta 131.79820033 _cell_angle_gamma 70.54793485 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr(BRu)4 _chemical_formula_sum 'Pr4 B16 Ru16' _cell_volume 434.74199725 _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 Pr Pr0 1 0.75000000 0.75000000 0.00000000 1.0 Pr Pr1 1 0.25000000 0.25000000 0.00000000 1.0 Pr Pr2 1 0.00000000 0.50000000 0.50000000 1.0 Pr Pr3 1 0.50000000 0.00000000 0.50000000 1.0 B B4 1 0.72512400 0.41471600 0.97614600 1.0 B B5 1 0.22512400 0.24897800 0.31040800 1.0 B B6 1 0.66471600 0.47512400 0.47614600 1.0 B B7 1 0.16471600 0.68857000 0.18959200 1.0 B B8 1 0.02487600 0.83528400 0.52385400 1.0 B B9 1 0.52487600 0.00102200 0.18959200 1.0 B B10 1 0.08528400 0.77487600 0.02385400 1.0 B B11 1 0.58528400 0.56143000 0.31040800 1.0 B B12 1 0.93857000 0.91471600 0.68959200 1.0 B B13 1 0.43857000 0.74897800 0.02385400 1.0 B B14 1 0.49897800 0.97512400 0.81040800 1.0 B B15 1 0.99897800 0.18857000 0.52385400 1.0 B B16 1 0.81143000 0.33528400 0.81040800 1.0 B B17 1 0.31143000 0.50102200 0.47614600 1.0 B B18 1 0.25102200 0.27487600 0.68959200 1.0 B B19 1 0.75102200 0.06143000 0.97614600 1.0 Ru Ru20 1 0.04375800 0.57241300 0.23983300 1.0 Ru Ru21 1 0.54375800 0.30392500 0.47134400 1.0 Ru Ru22 1 0.82241300 0.79375800 0.73983300 1.0 Ru Ru23 1 0.32241300 0.58258100 0.02865600 1.0 Ru Ru24 1 0.70624200 0.67758700 0.26016700 1.0 Ru Ru25 1 0.20624200 0.94607500 0.02865600 1.0 Ru Ru26 1 0.92758700 0.45624200 0.76016700 1.0 Ru Ru27 1 0.42758700 0.66741900 0.47134400 1.0 Ru Ru28 1 0.83258100 0.07241300 0.52865600 1.0 Ru Ru29 1 0.33258100 0.80392500 0.76016700 1.0 Ru Ru30 1 0.55392500 0.29375800 0.97134400 1.0 Ru Ru31 1 0.05392500 0.08258100 0.26016700 1.0 Ru Ru32 1 0.91741900 0.17758700 0.97134400 1.0 Ru Ru33 1 0.41741900 0.44607500 0.73983300 1.0 Ru Ru34 1 0.19607500 0.95624200 0.52865600 1.0 Ru Ru35 1 0.69607500 0.16741900 0.23983300 1.0