# generated using pymatgen data_SrSc2CuIr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79353059 _cell_length_b 8.79353059 _cell_length_c 5.16281108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSc2CuIr8 _chemical_formula_sum 'Sr2 Sc4 Cu2 Ir16' _cell_volume 399.22045983 _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 Sr Sr0 1 0.00000000 0.00000000 0.00000000 1.0 Sr Sr1 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc2 1 0.12471618 0.62471618 0.00000000 1.0 Sc Sc3 1 0.87528382 0.37528382 0.00000000 1.0 Sc Sc4 1 0.62471618 0.87528382 0.00000000 1.0 Sc Sc5 1 0.37528382 0.12471618 0.00000000 1.0 Cu Cu6 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu7 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir8 1 0.20840597 0.06174072 0.50000000 1.0 Ir Ir9 1 0.79159403 0.93825928 0.50000000 1.0 Ir Ir10 1 0.06174072 0.79159403 0.50000000 1.0 Ir Ir11 1 0.70840597 0.43825928 0.50000000 1.0 Ir Ir12 1 0.93825928 0.20840597 0.50000000 1.0 Ir Ir13 1 0.29159403 0.56174072 0.50000000 1.0 Ir Ir14 1 0.56174072 0.70840597 0.50000000 1.0 Ir Ir15 1 0.43825928 0.29159403 0.50000000 1.0 Ir Ir16 1 0.67741268 0.17741268 0.24092050 1.0 Ir Ir17 1 0.32258732 0.82258732 0.75907950 1.0 Ir Ir18 1 0.32258732 0.82258732 0.24092050 1.0 Ir Ir19 1 0.17741268 0.32258732 0.24092050 1.0 Ir Ir20 1 0.17741268 0.32258732 0.75907950 1.0 Ir Ir21 1 0.67741268 0.17741268 0.75907950 1.0 Ir Ir22 1 0.82258732 0.67741268 0.75907950 1.0 Ir Ir23 1 0.82258732 0.67741268 0.24092050 1.0