# generated using pymatgen data_Pr2Sc3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.74004116 _cell_length_b 12.74004142 _cell_length_c 3.95711300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000190 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Sc3Si12Ir19 _chemical_formula_sum 'Pr2 Sc3 Si12 Ir19' _cell_volume 556.22530937 _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 Pr Pr0 1 0.33333300 0.66666700 0.00000000 1.0 Pr Pr1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81559144 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81559144 0.50000000 1.0 Sc Sc4 1 0.18440856 0.18440856 0.50000000 1.0 Si Si5 1 0.17763224 0.00000000 0.00000000 1.0 Si Si6 1 0.00000000 0.17763224 0.00000000 1.0 Si Si7 1 0.82236776 0.82236776 0.00000000 1.0 Si Si8 1 0.16385631 0.47643012 0.50000000 1.0 Si Si9 1 0.52356988 0.68742519 0.50000000 1.0 Si Si10 1 0.31257481 0.83614369 0.50000000 1.0 Si Si11 1 0.68742519 0.52356988 0.50000000 1.0 Si Si12 1 0.83614369 0.31257481 0.50000000 1.0 Si Si13 1 0.47643012 0.16385631 0.50000000 1.0 Si Si14 1 0.63366490 1.00000000 0.00000000 1.0 Si Si15 1 1.00000000 0.63366490 0.00000000 1.0 Si Si16 1 0.36633510 0.36633510 0.00000000 1.0 Ir Ir17 1 0.44692906 0.00000000 0.00000000 1.0 Ir Ir18 1 0.00000000 0.44692906 0.00000000 1.0 Ir Ir19 1 0.55307094 0.55307094 0.00000000 1.0 Ir Ir20 1 0.36012133 0.48511456 0.50000000 1.0 Ir Ir21 1 0.51488544 0.87500777 0.50000000 1.0 Ir Ir22 1 0.12499223 0.63987867 0.50000000 1.0 Ir Ir23 1 0.87500777 0.51488544 0.50000000 1.0 Ir Ir24 1 0.63987867 0.12499223 0.50000000 1.0 Ir Ir25 1 0.48511456 0.36012133 0.50000000 1.0 Ir Ir26 1 0.18146237 0.37164844 0.00000000 1.0 Ir Ir27 1 0.62835156 0.80981393 0.00000000 1.0 Ir Ir28 1 0.19018607 0.81853763 0.00000000 1.0 Ir Ir29 1 0.80981393 0.62835156 0.00000000 1.0 Ir Ir30 1 0.81853763 0.19018607 0.00000000 1.0 Ir Ir31 1 0.37164844 0.18146237 0.00000000 1.0 Ir Ir32 1 0.27744544 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.27744544 0.50000000 1.0 Ir Ir34 1 0.72255456 0.72255456 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0