# generated using pymatgen data_CeScReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64889282 _cell_length_b 9.02659011 _cell_length_c 11.42811802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeScReB6 _chemical_formula_sum 'Ce4 Sc4 Re4 B24' _cell_volume 376.40860685 _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 Ce Ce0 1 0.00000000 0.32077702 0.41454368 1.0 Ce Ce1 1 0.00000000 0.67922298 0.58545632 1.0 Ce Ce2 1 0.00000000 0.82077702 0.08545632 1.0 Ce Ce3 1 0.00000000 0.17922298 0.91454368 1.0 Sc Sc4 1 0.00000000 0.94545333 0.37328193 1.0 Sc Sc5 1 0.00000000 0.05454667 0.62671807 1.0 Sc Sc6 1 0.00000000 0.44545333 0.12671807 1.0 Sc Sc7 1 0.00000000 0.55454667 0.87328193 1.0 Re Re8 1 0.00000000 0.64069567 0.31844623 1.0 Re Re9 1 0.00000000 0.35930433 0.68155377 1.0 Re Re10 1 0.00000000 0.14069567 0.18155377 1.0 Re Re11 1 0.00000000 0.85930433 0.81844623 1.0 B B12 1 0.50000000 0.55580768 0.43089488 1.0 B B13 1 0.50000000 0.44419232 0.56910512 1.0 B B14 1 0.50000000 0.05580768 0.06910512 1.0 B B15 1 0.50000000 0.94419232 0.93089488 1.0 B B16 1 0.50000000 0.75352115 0.41749724 1.0 B B17 1 0.50000000 0.24647885 0.58250276 1.0 B B18 1 0.50000000 0.25352115 0.08250276 1.0 B B19 1 0.50000000 0.74647885 0.91749724 1.0 B B20 1 0.50000000 0.79383954 0.26529676 1.0 B B21 1 0.50000000 0.20616046 0.73470324 1.0 B B22 1 0.50000000 0.29383954 0.23470324 1.0 B B23 1 0.50000000 0.70616046 0.76529676 1.0 B B24 1 0.50000000 0.62917057 0.18359183 1.0 B B25 1 0.50000000 0.37082943 0.81640817 1.0 B B26 1 0.50000000 0.12917057 0.31640817 1.0 B B27 1 0.50000000 0.87082943 0.68359183 1.0 B B28 1 0.50000000 0.98271342 0.21469545 1.0 B B29 1 0.50000000 0.01728658 0.78530455 1.0 B B30 1 0.50000000 0.48271342 0.28530455 1.0 B B31 1 0.50000000 0.51728658 0.71469545 1.0 B B32 1 0.50000000 0.59896644 0.02682989 1.0 B B33 1 0.50000000 0.40103356 0.97317011 1.0 B B34 1 0.50000000 0.09896644 0.47317011 1.0 B B35 1 0.50000000 0.90103356 0.52682989 1.0