# generated using pymatgen data_Sc4Si2IrPt6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02754747 _cell_length_b 6.50281728 _cell_length_c 16.07778685 _cell_angle_alpha 90.41395610 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Si2IrPt6 _chemical_formula_sum 'Sc8 Si4 Ir2 Pt12' _cell_volume 421.07276428 _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 0.00000000 0.28208338 0.46206556 1.0 Sc Sc1 1 0.00000000 0.71791662 0.53793444 1.0 Sc Sc2 1 0.00000000 0.78548100 0.03904640 1.0 Sc Sc3 1 0.00000000 0.21451900 0.96095360 1.0 Sc Sc4 1 0.00000000 0.53119128 0.29494975 1.0 Sc Sc5 1 0.00000000 0.46880872 0.70505025 1.0 Sc Sc6 1 0.00000000 0.02797988 0.21284505 1.0 Sc Sc7 1 0.00000000 0.97202012 0.78715495 1.0 Si Si8 1 0.50000000 0.84320830 0.30814597 1.0 Si Si9 1 0.50000000 0.15679170 0.69185403 1.0 Si Si10 1 0.50000000 0.34328423 0.19447820 1.0 Si Si11 1 0.50000000 0.65671577 0.80552180 1.0 Ir Ir12 1 0.00000000 0.90498564 0.38051446 1.0 Ir Ir13 1 0.00000000 0.09501436 0.61948554 1.0 Pt Pt14 1 0.00000000 0.40815692 0.11913534 1.0 Pt Pt15 1 0.00000000 0.59184308 0.88086466 1.0 Pt Pt16 1 0.50000000 0.60101084 0.42263989 1.0 Pt Pt17 1 0.50000000 0.39898916 0.57736011 1.0 Pt Pt18 1 0.50000000 0.09855575 0.07927027 1.0 Pt Pt19 1 0.50000000 0.90144425 0.92072973 1.0 Pt Pt20 1 0.50000000 0.50000000 0.00000000 1.0 Pt Pt21 1 0.50000000 0.00000000 0.50000000 1.0 Pt Pt22 1 0.50000000 0.21490428 0.33413487 1.0 Pt Pt23 1 0.50000000 0.78509572 0.66586513 1.0 Pt Pt24 1 0.50000000 0.71547227 0.16708262 1.0 Pt Pt25 1 0.50000000 0.28452773 0.83291738 1.0