# generated using pymatgen data_ZrSc4Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.66583752 _cell_length_b 12.66583854 _cell_length_c 3.90609553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000249 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc4Si12Ir19 _chemical_formula_sum 'Zr1 Sc4 Si12 Ir19' _cell_volume 542.67690688 _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 Zr Zr0 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81500103 0.99933707 0.50000000 1.0 Sc Sc3 1 0.00066293 0.81566396 0.50000000 1.0 Sc Sc4 1 0.18433604 0.18499897 0.50000000 1.0 Si Si5 1 0.17876346 0.00017095 0.00000000 1.0 Si Si6 1 0.99982905 0.17859252 0.00000000 1.0 Si Si7 1 0.82140748 0.82123654 0.00000000 1.0 Si Si8 1 0.16938870 0.48050773 0.50000000 1.0 Si Si9 1 0.51949227 0.68888097 0.50000000 1.0 Si Si10 1 0.31111903 0.83061130 0.50000000 1.0 Si Si11 1 0.68842347 0.51775968 0.50000000 1.0 Si Si12 1 0.82933520 0.31157653 0.50000000 1.0 Si Si13 1 0.48224032 0.17066480 0.50000000 1.0 Si Si14 1 0.63450149 0.00051559 0.00000000 1.0 Si Si15 1 0.99948441 0.63398590 0.00000000 1.0 Si Si16 1 0.36601410 0.36549851 0.00000000 1.0 Ir Ir17 1 0.44678296 0.99923299 0.00000000 1.0 Ir Ir18 1 0.00076701 0.44754997 0.00000000 1.0 Ir Ir19 1 0.55245003 0.55321704 0.00000000 1.0 Ir Ir20 1 0.36222299 0.49133508 0.50000000 1.0 Ir Ir21 1 0.50866492 0.87088790 0.50000000 1.0 Ir Ir22 1 0.12911210 0.63777701 0.50000000 1.0 Ir Ir23 1 0.87332120 0.51124124 0.50000000 1.0 Ir Ir24 1 0.63792004 0.12667880 0.50000000 1.0 Ir Ir25 1 0.48875876 0.36207996 0.50000000 1.0 Ir Ir26 1 0.18320422 0.37590071 0.00000000 1.0 Ir Ir27 1 0.62409929 0.80730351 0.00000000 1.0 Ir Ir28 1 0.19269649 0.81679578 0.00000000 1.0 Ir Ir29 1 0.80705579 0.62448278 0.00000000 1.0 Ir Ir30 1 0.81742699 0.19294421 0.00000000 1.0 Ir Ir31 1 0.37551722 0.18257301 0.00000000 1.0 Ir Ir32 1 0.28093790 0.00015467 0.50000000 1.0 Ir Ir33 1 0.99984533 0.28078323 0.50000000 1.0 Ir Ir34 1 0.71921677 0.71906210 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0