# generated using pymatgen data_Er5Si12Ir18Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73037898 _cell_length_b 12.73037967 _cell_length_c 3.96581006 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.24106971 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Si12Ir18Ru _chemical_formula_sum 'Er5 Si12 Ir18 Ru1' _cell_volume 555.24559100 _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 0.66469670 0.33267256 0.00000000 1.0 Er Er1 1 0.33267256 0.66469670 0.00000000 1.0 Er Er2 1 0.81593194 0.81593194 0.50000000 1.0 Er Er3 1 0.18649786 0.00227455 0.50000000 1.0 Er Er4 1 0.00227455 0.18649786 0.50000000 1.0 Si Si5 1 0.68880298 0.16902286 0.50000000 1.0 Si Si6 1 0.83038955 0.51963213 0.50000000 1.0 Si Si7 1 0.47704791 0.31042989 0.50000000 1.0 Si Si8 1 0.16902286 0.68880298 0.50000000 1.0 Si Si9 1 0.51963213 0.83038955 0.50000000 1.0 Si Si10 1 0.31042989 0.47704791 0.50000000 1.0 Si Si11 1 0.63095883 0.63095883 0.00000000 1.0 Si Si12 1 0.36905916 0.00021870 0.00000000 1.0 Si Si13 1 0.00021870 0.36905916 0.00000000 1.0 Si Si14 1 0.18342582 0.18342582 0.00000000 1.0 Si Si15 1 0.81971564 0.00117303 0.00000000 1.0 Si Si16 1 0.00117303 0.81971564 0.00000000 1.0 Ir Ir17 1 0.80659910 0.18345322 0.00000000 1.0 Ir Ir18 1 0.81696190 0.62393157 0.00000000 1.0 Ir Ir19 1 0.37654202 0.19284352 0.00000000 1.0 Ir Ir20 1 0.18345322 0.80659910 0.00000000 1.0 Ir Ir21 1 0.62393157 0.81696190 0.00000000 1.0 Ir Ir22 1 0.19284352 0.37654202 0.00000000 1.0 Ir Ir23 1 0.44524305 0.44524305 0.00000000 1.0 Ir Ir24 1 0.55343295 0.99942269 0.00000000 1.0 Ir Ir25 1 0.99942269 0.55343295 0.00000000 1.0 Ir Ir26 1 0.71858747 0.00029734 0.50000000 1.0 Ir Ir27 1 0.00029734 0.71858747 0.50000000 1.0 Ir Ir28 1 0.87293130 0.36232424 0.50000000 1.0 Ir Ir29 1 0.63751916 0.51097325 0.50000000 1.0 Ir Ir30 1 0.48911030 0.12654052 0.50000000 1.0 Ir Ir31 1 0.36232424 0.87293130 0.50000000 1.0 Ir Ir32 1 0.51097325 0.63751916 0.50000000 1.0 Ir Ir33 1 0.12654052 0.48911030 0.50000000 1.0 Ir Ir34 1 0.00041316 0.00041316 0.00000000 1.0 Ru Ru35 1 0.28092412 0.28092412 0.50000000 1.0