# generated using pymatgen data_Sc3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51609489 _cell_length_b 7.51609489 _cell_length_c 15.04996468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3C4 _chemical_formula_sum 'Sc30 C40' _cell_volume 850.19782477 _cell_formula_units_Z 10 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 0.78729400 0.60003805 0.64354693 1.0 Sc Sc1 1 0.21270600 0.39996195 0.64354693 1.0 Sc Sc2 1 0.10003805 0.28729400 0.85645307 1.0 Sc Sc3 1 0.60003805 0.21270600 0.64354693 1.0 Sc Sc4 1 0.39996195 0.78729400 0.64354693 1.0 Sc Sc5 1 0.71270600 0.10003805 0.85645307 1.0 Sc Sc6 1 0.28729400 0.89996195 0.85645307 1.0 Sc Sc7 1 0.89996195 0.71270600 0.85645307 1.0 Sc Sc8 1 0.21270600 0.39996195 0.35645307 1.0 Sc Sc9 1 0.78729400 0.60003805 0.35645307 1.0 Sc Sc10 1 0.89996195 0.71270600 0.14354693 1.0 Sc Sc11 1 0.39996195 0.78729400 0.35645307 1.0 Sc Sc12 1 0.60003805 0.21270600 0.35645307 1.0 Sc Sc13 1 0.28729400 0.89996195 0.14354693 1.0 Sc Sc14 1 0.71270600 0.10003805 0.14354693 1.0 Sc Sc15 1 0.10003805 0.28729400 0.14354693 1.0 Sc Sc16 1 0.30184387 0.09686642 0.50000000 1.0 Sc Sc17 1 0.69815613 0.90313358 0.50000000 1.0 Sc Sc18 1 0.59686642 0.80184387 -0.00000000 1.0 Sc Sc19 1 0.09686642 0.69815613 0.50000000 1.0 Sc Sc20 1 0.90313358 0.30184387 0.50000000 1.0 Sc Sc21 1 0.19815613 0.59686642 -0.00000000 1.0 Sc Sc22 1 0.80184387 0.40313358 -0.00000000 1.0 Sc Sc23 1 0.40313358 0.19815613 -0.00000000 1.0 Sc Sc24 1 0.50000000 0.50000000 0.81233899 1.0 Sc Sc25 1 -0.00000000 -0.00000000 0.68766101 1.0 Sc Sc26 1 0.50000000 0.50000000 0.18766101 1.0 Sc Sc27 1 -0.00000000 -0.00000000 0.31233899 1.0 Sc Sc28 1 0.50000000 0.50000000 0.50000000 1.0 Sc Sc29 1 -0.00000000 -0.00000000 -0.00000000 1.0 C C30 1 0.35016751 0.14983249 0.75000000 1.0 C C31 1 0.85016751 0.35016751 0.75000000 1.0 C C32 1 0.14983249 0.64983249 0.75000000 1.0 C C33 1 0.64983249 0.85016751 0.75000000 1.0 C C34 1 0.64983249 0.85016751 0.25000000 1.0 C C35 1 0.14983249 0.64983249 0.25000000 1.0 C C36 1 0.85016751 0.35016751 0.25000000 1.0 C C37 1 0.35016751 0.14983249 0.25000000 1.0 C C38 1 0.69307908 0.90274533 0.66789616 1.0 C C39 1 0.30692092 0.09725467 0.66789616 1.0 C C40 1 0.40274533 0.19307908 0.83210384 1.0 C C41 1 0.90274533 0.30692092 0.66789616 1.0 C C42 1 0.09725467 0.69307908 0.66789616 1.0 C C43 1 0.80692092 0.40274533 0.83210384 1.0 C C44 1 0.19307908 0.59725467 0.83210384 1.0 C C45 1 0.59725467 0.80692092 0.83210384 1.0 C C46 1 0.30692092 0.09725467 0.33210384 1.0 C C47 1 0.69307908 0.90274533 0.33210384 1.0 C C48 1 0.59725467 0.80692092 0.16789616 1.0 C C49 1 0.09725467 0.69307908 0.33210384 1.0 C C50 1 0.90274533 0.30692092 0.33210384 1.0 C C51 1 0.19307908 0.59725467 0.16789616 1.0 C C52 1 0.80692092 0.40274533 0.16789616 1.0 C C53 1 0.40274533 0.19307908 0.16789616 1.0 C C54 1 0.39365696 0.80331242 0.50000000 1.0 C C55 1 0.60634304 0.19668758 0.50000000 1.0 C C56 1 0.30331242 0.89365696 -0.00000000 1.0 C C57 1 0.80331242 0.60634304 0.50000000 1.0 C C58 1 0.19668758 0.39365696 0.50000000 1.0 C C59 1 0.10634304 0.30331242 -0.00000000 1.0 C C60 1 -0.00000000 -0.00000000 0.54263790 1.0 C C61 1 0.50000000 0.50000000 0.95736210 1.0 C C62 1 -0.00000000 -0.00000000 0.45736210 1.0 C C63 1 0.50000000 0.50000000 0.04263790 1.0 C C64 1 -0.00000000 -0.00000000 0.15697335 1.0 C C65 1 0.50000000 0.50000000 0.34302665 1.0 C C66 1 -0.00000000 -0.00000000 0.84302665 1.0 C C67 1 0.50000000 0.50000000 0.65697335 1.0 C C68 1 0.69668758 0.10634304 -0.00000000 1.0 C C69 1 0.89365696 0.69668758 -0.00000000 1.0