# generated using pymatgen data_SmHfReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62286726 _cell_length_b 9.03482243 _cell_length_c 11.45653225 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmHfReB6 _chemical_formula_sum 'Sm4 Hf4 Re4 B24' _cell_volume 374.99478243 _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 Sm Sm0 1 0.00000000 0.32217297 0.41426955 1.0 Sm Sm1 1 0.00000000 0.67782703 0.58573045 1.0 Sm Sm2 1 0.00000000 0.82217297 0.08573045 1.0 Sm Sm3 1 0.00000000 0.17782703 0.91426955 1.0 Hf Hf4 1 0.00000000 0.94589762 0.37256138 1.0 Hf Hf5 1 0.00000000 0.05410238 0.62743862 1.0 Hf Hf6 1 0.00000000 0.44589762 0.12743862 1.0 Hf Hf7 1 0.00000000 0.55410238 0.87256138 1.0 Re Re8 1 0.00000000 0.64200153 0.31676011 1.0 Re Re9 1 0.00000000 0.35799847 0.68323989 1.0 Re Re10 1 0.00000000 0.14200153 0.18323989 1.0 Re Re11 1 0.00000000 0.85799847 0.81676011 1.0 B B12 1 0.50000000 0.55593557 0.43102774 1.0 B B13 1 0.50000000 0.44406443 0.56897226 1.0 B B14 1 0.50000000 0.05593557 0.06897226 1.0 B B15 1 0.50000000 0.94406443 0.93102774 1.0 B B16 1 0.50000000 0.75353413 0.41645077 1.0 B B17 1 0.50000000 0.24646587 0.58354923 1.0 B B18 1 0.50000000 0.25353413 0.08354923 1.0 B B19 1 0.50000000 0.74646587 0.91645077 1.0 B B20 1 0.50000000 0.79534990 0.26491273 1.0 B B21 1 0.50000000 0.20465010 0.73508727 1.0 B B22 1 0.50000000 0.29534990 0.23508727 1.0 B B23 1 0.50000000 0.70465010 0.76491273 1.0 B B24 1 0.50000000 0.62989005 0.18304641 1.0 B B25 1 0.50000000 0.37010995 0.81695359 1.0 B B26 1 0.50000000 0.12989005 0.31695359 1.0 B B27 1 0.50000000 0.87010995 0.68304641 1.0 B B28 1 0.50000000 0.98338412 0.21486199 1.0 B B29 1 0.50000000 0.01661588 0.78513801 1.0 B B30 1 0.50000000 0.48338412 0.28513801 1.0 B B31 1 0.50000000 0.51661588 0.71486199 1.0 B B32 1 0.50000000 0.59881902 0.02609988 1.0 B B33 1 0.50000000 0.40118098 0.97390012 1.0 B B34 1 0.50000000 0.09881902 0.47390012 1.0 B B35 1 0.50000000 0.90118098 0.52609988 1.0