# generated using pymatgen data_Er(BRu)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18646412 _cell_length_b 9.18646412 _cell_length_c 9.18646412 _cell_angle_alpha 131.99582961 _cell_angle_beta 131.99582961 _cell_angle_gamma 70.23561364 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er(BRu)4 _chemical_formula_sum 'Er4 B16 Ru16' _cell_volume 419.70160446 _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 Er Er0 1 0.25000000 0.25000000 0.00000000 1.0 Er Er1 1 0.75000000 0.75000000 0.00000000 1.0 Er Er2 1 0.50000000 0.00000000 0.50000000 1.0 Er Er3 1 0.00000000 0.50000000 0.50000000 1.0 B B4 1 0.22189100 0.91451700 0.97230500 1.0 B B5 1 0.72189100 0.74958600 0.30737400 1.0 B B6 1 0.16451700 0.97189100 0.47230500 1.0 B B7 1 0.66451700 0.19221200 0.19262600 1.0 B B8 1 0.52810900 0.33548300 0.52769500 1.0 B B9 1 0.02810900 0.50041400 0.19262600 1.0 B B10 1 0.58548300 0.27810900 0.02769500 1.0 B B11 1 0.08548300 0.05778800 0.30737400 1.0 B B12 1 0.44221200 0.41451700 0.69262600 1.0 B B13 1 0.94221200 0.24958600 0.02769500 1.0 B B14 1 0.99958600 0.47189100 0.80737400 1.0 B B15 1 0.49958600 0.69221200 0.52769500 1.0 B B16 1 0.30778800 0.83548300 0.80737400 1.0 B B17 1 0.80778800 0.00041400 0.47230500 1.0 B B18 1 0.75041400 0.77810900 0.69262600 1.0 B B19 1 0.25041400 0.55778800 0.97230500 1.0 Ru Ru20 1 0.53920300 0.07256000 0.23530100 1.0 Ru Ru21 1 0.03920300 0.80390300 0.46664300 1.0 Ru Ru22 1 0.32256000 0.28920300 0.73530100 1.0 Ru Ru23 1 0.82256000 0.08726000 0.03335700 1.0 Ru Ru24 1 0.21079700 0.17744000 0.26469900 1.0 Ru Ru25 1 0.71079700 0.44609700 0.03335700 1.0 Ru Ru26 1 0.42744000 0.96079700 0.76469900 1.0 Ru Ru27 1 0.92744000 0.16274000 0.46664300 1.0 Ru Ru28 1 0.33726000 0.57256000 0.53335700 1.0 Ru Ru29 1 0.83726000 0.30390300 0.76469900 1.0 Ru Ru30 1 0.05390300 0.78920300 0.96664300 1.0 Ru Ru31 1 0.55390300 0.58726000 0.26469900 1.0 Ru Ru32 1 0.41274000 0.67744000 0.96664300 1.0 Ru Ru33 1 0.91274000 0.94609700 0.73530100 1.0 Ru Ru34 1 0.69609700 0.46079700 0.53335700 1.0 Ru Ru35 1 0.19609700 0.66274000 0.23530100 1.0