# generated using pymatgen data_Sc4C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24784940 _cell_length_b 6.24784995 _cell_length_c 6.24784912 _cell_angle_alpha 109.47121454 _cell_angle_beta 109.47121638 _cell_angle_gamma 109.47122788 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4C3 _chemical_formula_sum 'Sc8 C6' _cell_volume 187.74561495 _cell_formula_units_Z 2 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 0.40113149 0.50000000 -0.00000000 1.0 Sc Sc1 1 0.59886851 0.59886851 0.59886851 1.0 Sc Sc2 1 0.50000000 -0.00000000 0.40113149 1.0 Sc Sc3 1 0.00000000 0.40113149 0.50000000 1.0 Sc Sc4 1 0.50000000 -0.00000000 0.90113149 1.0 Sc Sc5 1 0.00000000 0.90113149 0.50000000 1.0 Sc Sc6 1 0.90113149 0.50000000 -0.00000000 1.0 Sc Sc7 1 0.09886851 0.09886851 0.09886851 1.0 C C8 1 0.75000000 0.87500000 0.12500000 1.0 C C9 1 0.62500000 0.37500000 0.25000000 1.0 C C10 1 0.87500000 0.12500000 0.75000000 1.0 C C11 1 0.12500000 0.75000000 0.87500000 1.0 C C12 1 0.37500000 0.25000000 0.62500000 1.0 C C13 1 0.25000000 0.62500000 0.37500000 1.0