# generated using pymatgen data_Sc5Ir15C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08387200 _cell_length_b 4.08387200 _cell_length_c 20.64844200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Ir15C4 _chemical_formula_sum 'Sc5 Ir15 C4' _cell_volume 344.37493274 _cell_formula_units_Z 1 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 0.90807900 1.0 Sc Sc1 1 0.00000000 0.00000000 0.09192100 1.0 Sc Sc2 1 0.00000000 0.00000000 0.29834100 1.0 Sc Sc3 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc4 1 0.00000000 0.00000000 0.70165900 1.0 Ir Ir5 1 0.50000000 0.50000000 0.91112300 1.0 Ir Ir6 1 0.50000000 0.50000000 0.08887700 1.0 Ir Ir7 1 0.50000000 0.50000000 0.29856600 1.0 Ir Ir8 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir9 1 0.50000000 0.50000000 0.70143400 1.0 Ir Ir10 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir11 1 0.50000000 0.00000000 0.20211800 1.0 Ir Ir12 1 0.50000000 0.00000000 0.40152900 1.0 Ir Ir13 1 0.50000000 0.00000000 0.59847100 1.0 Ir Ir14 1 0.50000000 0.00000000 0.79788200 1.0 Ir Ir15 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir16 1 0.00000000 0.50000000 0.20211800 1.0 Ir Ir17 1 0.00000000 0.50000000 0.40152900 1.0 Ir Ir18 1 0.00000000 0.50000000 0.59847100 1.0 Ir Ir19 1 0.00000000 0.50000000 0.79788200 1.0 C C20 1 0.50000000 0.50000000 0.18274700 1.0 C C21 1 0.50000000 0.50000000 0.39580400 1.0 C C22 1 0.50000000 0.50000000 0.60419600 1.0 C C23 1 0.50000000 0.50000000 0.81725300 1.0