# generated using pymatgen data_Er5Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73802064 _cell_length_b 12.73802064 _cell_length_c 3.95521847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000511 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Si12Ir19 _chemical_formula_sum 'Er5 Si12 Ir19' _cell_volume 555.78264792 _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 0.66666700 0.33333300 0.00000000 1.0 Er Er1 1 0.33333300 0.66666700 0.00000000 1.0 Er Er2 1 0.81555482 0.81555482 0.50000000 1.0 Er Er3 1 0.18444518 1.00000000 0.50000000 1.0 Er Er4 1 1.00000000 0.18444518 0.50000000 1.0 Si Si5 1 0.68824088 0.16882082 0.50000000 1.0 Si Si6 1 0.83117918 0.51941907 0.50000000 1.0 Si Si7 1 0.48058093 0.31175912 0.50000000 1.0 Si Si8 1 0.16882082 0.68824088 0.50000000 1.0 Si Si9 1 0.51941907 0.83117918 0.50000000 1.0 Si Si10 1 0.31175912 0.48058093 0.50000000 1.0 Si Si11 1 0.63191954 0.63191954 0.00000000 1.0 Si Si12 1 0.36808046 0.00000000 0.00000000 1.0 Si Si13 1 0.00000000 0.36808046 0.00000000 1.0 Si Si14 1 0.18095289 0.18095289 0.00000000 1.0 Si Si15 1 0.81904711 1.00000000 0.00000000 1.0 Si Si16 1 1.00000000 0.81904711 0.00000000 1.0 Ir Ir17 1 0.80619269 0.18286413 0.00000000 1.0 Ir Ir18 1 0.81713587 0.62332856 0.00000000 1.0 Ir Ir19 1 0.37667144 0.19380731 0.00000000 1.0 Ir Ir20 1 0.18286413 0.80619269 0.00000000 1.0 Ir Ir21 1 0.62332856 0.81713587 0.00000000 1.0 Ir Ir22 1 0.19380731 0.37667144 0.00000000 1.0 Ir Ir23 1 0.44702743 0.44702743 0.00000000 1.0 Ir Ir24 1 0.55297257 1.00000000 0.00000000 1.0 Ir Ir25 1 1.00000000 0.55297257 0.00000000 1.0 Ir Ir26 1 0.28232310 0.28232310 0.50000000 1.0 Ir Ir27 1 0.71767690 1.00000000 0.50000000 1.0 Ir Ir28 1 1.00000000 0.71767690 0.50000000 1.0 Ir Ir29 1 0.87310630 0.36165081 0.50000000 1.0 Ir Ir30 1 0.63834919 0.51145749 0.50000000 1.0 Ir Ir31 1 0.48854251 0.12689370 0.50000000 1.0 Ir Ir32 1 0.36165081 0.87310630 0.50000000 1.0 Ir Ir33 1 0.51145749 0.63834919 0.50000000 1.0 Ir Ir34 1 0.12689370 0.48854251 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0