# generated using pymatgen data_Er3Th2Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.81294711 _cell_length_b 12.82841381 _cell_length_c 3.97406467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.03994466 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Th2Si12Ir19 _chemical_formula_sum 'Er3 Th2 Si12 Ir19' _cell_volume 565.47395662 _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 Er Er0 1 0.66481632 0.33255200 0.00000000 1.0 Er Er1 1 0.33518368 0.66773668 0.00000000 1.0 Er Er2 1 0.00000000 0.19033749 0.50000000 1.0 Th Th3 1 0.81350161 0.81497867 0.50000000 1.0 Th Th4 1 0.18649839 0.00147706 0.50000000 1.0 Si Si5 1 0.68906922 0.17139967 0.50000000 1.0 Si Si6 1 0.82880318 0.51637211 0.50000000 1.0 Si Si7 1 0.48024730 0.31027575 0.50000000 1.0 Si Si8 1 0.17119682 0.68756993 0.50000000 1.0 Si Si9 1 0.51975270 0.83002945 0.50000000 1.0 Si Si10 1 0.31093078 0.48233146 0.50000000 1.0 Si Si11 1 0.62748731 0.62721386 0.00000000 1.0 Si Si12 1 0.37251269 0.99972656 0.00000000 1.0 Si Si13 1 0.00000000 0.36957317 0.00000000 1.0 Si Si14 1 0.17912986 0.18551900 0.00000000 1.0 Si Si15 1 0.82087014 0.00639015 0.00000000 1.0 Si Si16 1 1.00000000 0.81430829 0.00000000 1.0 Ir Ir17 1 0.80584139 0.18458894 0.00000000 1.0 Ir Ir18 1 0.81664763 0.62119461 0.00000000 1.0 Ir Ir19 1 0.37581585 0.19432233 0.00000000 1.0 Ir Ir20 1 0.18335237 0.80454798 0.00000000 1.0 Ir Ir21 1 0.62418415 0.81850648 0.00000000 1.0 Ir Ir22 1 0.19415861 0.37874756 0.00000000 1.0 Ir Ir23 1 0.44573411 0.44493825 0.00000000 1.0 Ir Ir24 1 0.55426589 0.99920415 0.00000000 1.0 Ir Ir25 1 1.00000000 0.55255757 0.00000000 1.0 Ir Ir26 1 0.28292327 0.28454713 0.50000000 1.0 Ir Ir27 1 0.71707673 0.00162385 0.50000000 1.0 Ir Ir28 1 1.00000000 0.71343037 0.50000000 1.0 Ir Ir29 1 0.87323819 0.36206182 0.50000000 1.0 Ir Ir30 1 0.63709330 0.50904164 0.50000000 1.0 Ir Ir31 1 0.48889726 0.12623995 0.50000000 1.0 Ir Ir32 1 0.36290670 0.87194735 0.50000000 1.0 Ir Ir33 1 0.51110274 0.63734069 0.50000000 1.0 Ir Ir34 1 0.12676181 0.48882163 0.50000000 1.0 Ir Ir35 1 1.00000000 0.99854542 0.00000000 1.0