# generated using pymatgen data_Er2B6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62503299 _cell_length_b 9.07369041 _cell_length_c 11.43609044 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2B6Ru _chemical_formula_sum 'Er8 B24 Ru4' _cell_volume 376.16077085 _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 -0.00000000 0.32180273 0.41432763 1.0 Er Er1 1 -0.00000000 0.67819727 0.58567237 1.0 Er Er2 1 -0.00000000 0.82180273 0.08567237 1.0 Er Er3 1 -0.00000000 0.17819727 0.91432763 1.0 Er Er4 1 0.00000000 0.94386782 0.37279199 1.0 Er Er5 1 -0.00000000 0.05613218 0.62720801 1.0 Er Er6 1 -0.00000000 0.44386782 0.12720801 1.0 Er Er7 1 0.00000000 0.55613218 0.87279199 1.0 B B8 1 0.50000000 0.55372969 0.43311286 1.0 B B9 1 0.50000000 0.44627031 0.56688714 1.0 B B10 1 0.50000000 0.05372969 0.06688714 1.0 B B11 1 0.50000000 0.94627031 0.93311286 1.0 B B12 1 0.50000000 0.74802923 0.41999432 1.0 B B13 1 0.50000000 0.25197077 0.58000568 1.0 B B14 1 0.50000000 0.24802923 0.08000568 1.0 B B15 1 0.50000000 0.75197077 0.91999432 1.0 B B16 1 0.50000000 0.79108010 0.26598909 1.0 B B17 1 0.50000000 0.20891990 0.73401091 1.0 B B18 1 0.50000000 0.29108010 0.23401091 1.0 B B19 1 0.50000000 0.70891990 0.76598909 1.0 B B20 1 0.50000000 0.63181144 0.18501917 1.0 B B21 1 0.50000000 0.36818856 0.81498083 1.0 B B22 1 0.50000000 0.13181144 0.31498083 1.0 B B23 1 0.50000000 0.86818856 0.68501917 1.0 B B24 1 0.50000000 0.98294038 0.21288750 1.0 B B25 1 0.50000000 0.01705962 0.78711250 1.0 B B26 1 0.50000000 0.48294038 0.28711250 1.0 B B27 1 0.50000000 0.51705962 0.71288750 1.0 B B28 1 0.50000000 0.60942244 0.03015237 1.0 B B29 1 0.50000000 0.39057756 0.96984763 1.0 B B30 1 0.50000000 0.10942244 0.46984763 1.0 B B31 1 0.50000000 0.89057756 0.53015237 1.0 Ru Ru32 1 0.00000000 0.63771588 0.32109065 1.0 Ru Ru33 1 -0.00000000 0.36228412 0.67890935 1.0 Ru Ru34 1 0.00000000 0.13771588 0.17890935 1.0 Ru Ru35 1 -0.00000000 0.86228412 0.82109065 1.0