# generated using pymatgen data_MgPaReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63691357 _cell_length_b 8.91621871 _cell_length_c 11.28086224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgPaReB6 _chemical_formula_sum 'Mg4 Pa4 Re4 B24' _cell_volume 365.81035024 _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 Mg Mg0 1 0.00000000 0.94670801 0.37798792 1.0 Mg Mg1 1 0.00000000 0.05329199 0.62201208 1.0 Mg Mg2 1 0.00000000 0.44670801 0.12201208 1.0 Mg Mg3 1 0.00000000 0.55329199 0.87798792 1.0 Pa Pa4 1 0.00000000 0.32054576 0.41405825 1.0 Pa Pa5 1 0.00000000 0.67945424 0.58594175 1.0 Pa Pa6 1 0.00000000 0.82054576 0.08594175 1.0 Pa Pa7 1 0.00000000 0.17945424 0.91405825 1.0 Re Re8 1 0.00000000 0.64019022 0.31970257 1.0 Re Re9 1 0.00000000 0.35980978 0.68029743 1.0 Re Re10 1 0.00000000 0.14019022 0.18029743 1.0 Re Re11 1 0.00000000 0.85980978 0.81970257 1.0 B B12 1 0.50000000 0.55537671 0.43275633 1.0 B B13 1 0.50000000 0.44462329 0.56724367 1.0 B B14 1 0.50000000 0.05537671 0.06724367 1.0 B B15 1 0.50000000 0.94462329 0.93275633 1.0 B B16 1 0.50000000 0.75483726 0.41904188 1.0 B B17 1 0.50000000 0.24516274 0.58095812 1.0 B B18 1 0.50000000 0.25483726 0.08095812 1.0 B B19 1 0.50000000 0.74516274 0.91904188 1.0 B B20 1 0.50000000 0.79269885 0.26336965 1.0 B B21 1 0.50000000 0.20730115 0.73663035 1.0 B B22 1 0.50000000 0.29269885 0.23663035 1.0 B B23 1 0.50000000 0.70730115 0.76336965 1.0 B B24 1 0.50000000 0.62813556 0.18239633 1.0 B B25 1 0.50000000 0.37186444 0.81760367 1.0 B B26 1 0.50000000 0.12813556 0.31760367 1.0 B B27 1 0.50000000 0.87186444 0.68239633 1.0 B B28 1 0.50000000 0.98128508 0.21349129 1.0 B B29 1 0.50000000 0.01871492 0.78650871 1.0 B B30 1 0.50000000 0.48128508 0.28650871 1.0 B B31 1 0.50000000 0.51871492 0.71349129 1.0 B B32 1 0.50000000 0.59952756 0.02755849 1.0 B B33 1 0.50000000 0.40047244 0.97244151 1.0 B B34 1 0.50000000 0.09952756 0.47244151 1.0 B B35 1 0.50000000 0.90047244 0.52755849 1.0