# generated using pymatgen data_Nd2B8Ru7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44052145 _cell_length_b 6.44052145 _cell_length_c 10.03617726 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2B8Ru7 _chemical_formula_sum 'Nd4 B16 Ru14' _cell_volume 416.30381025 _cell_formula_units_Z 2 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 Nd Nd0 1 0.73374562 0.87587883 0.00000000 1.0 Nd Nd1 1 0.12412117 0.73374562 0.50000000 1.0 Nd Nd2 1 0.87587883 0.26625438 0.50000000 1.0 Nd Nd3 1 0.26625438 0.12412117 0.00000000 1.0 B B4 1 0.50000000 0.00000000 0.58901376 1.0 B B5 1 0.50000000 0.00000000 0.41098624 1.0 B B6 1 0.89654490 0.27461704 0.17016822 1.0 B B7 1 0.10345510 0.72538296 0.82983178 1.0 B B8 1 0.50000000 0.50000000 0.34169945 1.0 B B9 1 0.50000000 0.50000000 0.84169945 1.0 B B10 1 0.27461704 0.10345510 0.67016822 1.0 B B11 1 0.10345510 0.72538296 0.17016822 1.0 B B12 1 0.27461704 0.10345510 0.32983178 1.0 B B13 1 0.89654490 0.27461704 0.82983178 1.0 B B14 1 0.50000000 0.50000000 0.65830055 1.0 B B15 1 0.50000000 0.50000000 0.15830055 1.0 B B16 1 0.00000000 0.50000000 0.91098624 1.0 B B17 1 0.72538296 0.89654490 0.67016822 1.0 B B18 1 0.72538296 0.89654490 0.32983178 1.0 B B19 1 0.00000000 0.50000000 0.08901376 1.0 Ru Ru20 1 0.20431995 0.40033194 0.75227836 1.0 Ru Ru21 1 0.39802037 0.28540028 0.50000000 1.0 Ru Ru22 1 0.40033194 0.79568005 0.25227836 1.0 Ru Ru23 1 0.20431995 0.40033194 0.24772164 1.0 Ru Ru24 1 0.60197963 0.71459972 0.50000000 1.0 Ru Ru25 1 0.59966806 0.20431995 0.74772164 1.0 Ru Ru26 1 0.28540028 0.60197963 0.00000000 1.0 Ru Ru27 1 0.71459972 0.39802037 0.00000000 1.0 Ru Ru28 1 0.79568005 0.59966806 0.24772164 1.0 Ru Ru29 1 0.79568005 0.59966806 0.75227836 1.0 Ru Ru30 1 0.40033194 0.79568005 0.74772164 1.0 Ru Ru31 1 0.00000000 0.00000000 0.25000000 1.0 Ru Ru32 1 0.59966806 0.20431995 0.25227836 1.0 Ru Ru33 1 0.00000000 0.00000000 0.75000000 1.0