# generated using pymatgen data_Sc4BC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32601800 _cell_length_b 3.32601800 _cell_length_c 31.05155200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4BC4 _chemical_formula_sum 'Sc12 B3 C12' _cell_volume 343.50455645 _cell_formula_units_Z 3 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 Sc Sc0 1 0.00000000 0.00000000 0.87568200 1.0 Sc Sc1 1 0.00000000 0.00000000 0.12431800 1.0 Sc Sc2 1 0.00000000 0.00000000 0.37499700 1.0 Sc Sc3 1 0.00000000 0.00000000 0.62500300 1.0 Sc Sc4 1 0.50000000 0.50000000 0.05136600 1.0 Sc Sc5 1 0.50000000 0.50000000 0.30446500 1.0 Sc Sc6 1 0.50000000 0.50000000 0.55445900 1.0 Sc Sc7 1 0.50000000 0.50000000 0.80467300 1.0 Sc Sc8 1 0.50000000 0.50000000 0.94863400 1.0 Sc Sc9 1 0.50000000 0.50000000 0.19532700 1.0 Sc Sc10 1 0.50000000 0.50000000 0.44554100 1.0 Sc Sc11 1 0.50000000 0.50000000 0.69553500 1.0 B B12 1 0.00000000 0.00000000 0.25004200 1.0 B B13 1 0.00000000 0.00000000 0.50000000 1.0 B B14 1 0.00000000 0.00000000 0.74995800 1.0 C C15 1 0.50000000 0.50000000 0.87450700 1.0 C C16 1 0.50000000 0.50000000 0.12549300 1.0 C C17 1 0.50000000 0.50000000 0.37500900 1.0 C C18 1 0.50000000 0.50000000 0.62499100 1.0 C C19 1 0.00000000 0.00000000 0.04737700 1.0 C C20 1 0.00000000 0.00000000 0.29722500 1.0 C C21 1 0.00000000 0.00000000 0.54711000 1.0 C C22 1 0.00000000 0.00000000 0.79680700 1.0 C C23 1 0.00000000 0.00000000 0.95262300 1.0 C C24 1 0.00000000 0.00000000 0.20319300 1.0 C C25 1 0.00000000 0.00000000 0.45289000 1.0 C C26 1 0.00000000 0.00000000 0.70277500 1.0