# generated using pymatgen data_ErTiReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51575465 _cell_length_b 8.84380474 _cell_length_c 11.19532136 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErTiReB6 _chemical_formula_sum 'Er4 Ti4 Re4 B24' _cell_volume 348.09218269 _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 0.32047553 0.41402900 1.0 Er Er1 1 0.00000000 0.67952447 0.58597100 1.0 Er Er2 1 0.00000000 0.82047553 0.08597100 1.0 Er Er3 1 0.00000000 0.17952447 0.91402900 1.0 Ti Ti4 1 0.00000000 0.94665583 0.37324149 1.0 Ti Ti5 1 0.00000000 0.05334417 0.62675851 1.0 Ti Ti6 1 0.00000000 0.44665583 0.12675851 1.0 Ti Ti7 1 0.00000000 0.55334417 0.87324149 1.0 Re Re8 1 0.00000000 0.64264530 0.31633031 1.0 Re Re9 1 0.00000000 0.35735470 0.68366969 1.0 Re Re10 1 0.00000000 0.14264530 0.18366969 1.0 Re Re11 1 0.00000000 0.85735470 0.81633031 1.0 B B12 1 0.50000000 0.55486981 0.43312307 1.0 B B13 1 0.50000000 0.44513019 0.56687693 1.0 B B14 1 0.50000000 0.05486981 0.06687693 1.0 B B15 1 0.50000000 0.94513019 0.93312307 1.0 B B16 1 0.50000000 0.75638173 0.41800805 1.0 B B17 1 0.50000000 0.24361827 0.58199195 1.0 B B18 1 0.50000000 0.25638173 0.08199195 1.0 B B19 1 0.50000000 0.74361827 0.91800805 1.0 B B20 1 0.50000000 0.79726281 0.26356808 1.0 B B21 1 0.50000000 0.20273719 0.73643192 1.0 B B22 1 0.50000000 0.29726281 0.23643192 1.0 B B23 1 0.50000000 0.70273719 0.76356808 1.0 B B24 1 0.50000000 0.62859074 0.18040473 1.0 B B25 1 0.50000000 0.37140926 0.81959527 1.0 B B26 1 0.50000000 0.12859074 0.31959527 1.0 B B27 1 0.50000000 0.87140926 0.68040473 1.0 B B28 1 0.50000000 0.98107005 0.21453261 1.0 B B29 1 0.50000000 0.01892995 0.78546739 1.0 B B30 1 0.50000000 0.48107005 0.28546739 1.0 B B31 1 0.50000000 0.51892995 0.71453261 1.0 B B32 1 0.50000000 0.59682172 0.02545743 1.0 B B33 1 0.50000000 0.40317828 0.97454257 1.0 B B34 1 0.50000000 0.09682172 0.47454257 1.0 B B35 1 0.50000000 0.90317828 0.52545743 1.0