# generated using pymatgen data_Zr2Sc3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.67012818 _cell_length_b 12.67012866 _cell_length_c 3.90167790 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000133 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Sc3Si12Ir19 _chemical_formula_sum 'Zr2 Sc3 Si12 Ir19' _cell_volume 542.43046549 _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 Zr Zr1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81504437 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81504437 0.50000000 1.0 Sc Sc4 1 0.18495563 0.18495563 0.50000000 1.0 Si Si5 1 0.17827732 0.00000000 0.00000000 1.0 Si Si6 1 0.00000000 0.17827732 0.00000000 1.0 Si Si7 1 0.82172268 0.82172268 0.00000000 1.0 Si Si8 1 0.16952720 0.48080899 0.50000000 1.0 Si Si9 1 0.51919101 0.68871721 0.50000000 1.0 Si Si10 1 0.31128279 0.83047280 0.50000000 1.0 Si Si11 1 0.68871721 0.51919101 0.50000000 1.0 Si Si12 1 0.83047280 0.31128279 0.50000000 1.0 Si Si13 1 0.48080899 0.16952720 0.50000000 1.0 Si Si14 1 0.63498566 1.00000000 0.00000000 1.0 Si Si15 1 1.00000000 0.63498566 0.00000000 1.0 Si Si16 1 0.36501434 0.36501434 0.00000000 1.0 Ir Ir17 1 0.44752723 0.00000000 0.00000000 1.0 Ir Ir18 1 0.00000000 0.44752723 0.00000000 1.0 Ir Ir19 1 0.55247277 0.55247277 0.00000000 1.0 Ir Ir20 1 0.36240910 0.49077266 0.50000000 1.0 Ir Ir21 1 0.50922734 0.87163644 0.50000000 1.0 Ir Ir22 1 0.12836356 0.63759090 0.50000000 1.0 Ir Ir23 1 0.87163644 0.50922734 0.50000000 1.0 Ir Ir24 1 0.63759090 0.12836356 0.50000000 1.0 Ir Ir25 1 0.49077266 0.36240910 0.50000000 1.0 Ir Ir26 1 0.18289146 0.37639019 0.00000000 1.0 Ir Ir27 1 0.62360981 0.80650127 0.00000000 1.0 Ir Ir28 1 0.19349873 0.81710854 0.00000000 1.0 Ir Ir29 1 0.80650127 0.62360981 0.00000000 1.0 Ir Ir30 1 0.81710854 0.19349873 0.00000000 1.0 Ir Ir31 1 0.37639019 0.18289146 0.00000000 1.0 Ir Ir32 1 0.28049612 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28049612 0.50000000 1.0 Ir Ir34 1 0.71950388 0.71950388 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0