# generated using pymatgen data_Sc4Si6Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95777022 _cell_length_b 6.95777022 _cell_length_c 6.95777022 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Si6Ir7 _chemical_formula_sum 'Sc4 Si6 Ir7' _cell_volume 259.29154513 _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 0.50000000 1.0 Sc Sc1 1 -0.00000000 0.50000000 -0.00000000 1.0 Sc Sc2 1 0.50000000 -0.00000000 -0.00000000 1.0 Sc Sc3 1 0.50000000 0.50000000 0.50000000 1.0 Si Si4 1 0.68193113 0.68193113 -0.00000000 1.0 Si Si5 1 0.31806887 0.00000000 0.31806887 1.0 Si Si6 1 0.00000000 0.31806887 0.31806887 1.0 Si Si7 1 0.31806887 0.31806887 0.00000000 1.0 Si Si8 1 0.68193113 -0.00000000 0.68193113 1.0 Si Si9 1 -0.00000000 0.68193113 0.68193113 1.0 Ir Ir10 1 0.75000000 0.25000000 0.50000000 1.0 Ir Ir11 1 0.75000000 0.50000000 0.25000000 1.0 Ir Ir12 1 0.50000000 0.25000000 0.75000000 1.0 Ir Ir13 1 0.25000000 0.50000000 0.75000000 1.0 Ir Ir14 1 0.25000000 0.75000000 0.50000000 1.0 Ir Ir15 1 0.50000000 0.75000000 0.25000000 1.0 Ir Ir16 1 -0.00000000 -0.00000000 -0.00000000 1.0