# generated using pymatgen data_Er12Si12Ir3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19086659 _cell_length_b 10.51991210 _cell_length_c 12.16037377 _cell_angle_alpha 90.01485629 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er12Si12Ir3Ru _chemical_formula_sum 'Er12 Si12 Ir3 Ru1' _cell_volume 536.12104581 _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 0.25000000 0.87973667 0.02061604 1.0 Er Er1 1 0.25000000 0.61904745 0.52176159 1.0 Er Er2 1 0.75000000 0.11854567 0.97899811 1.0 Er Er3 1 0.75000000 0.38040327 0.47910880 1.0 Er Er4 1 0.25000000 0.91937641 0.60386467 1.0 Er Er5 1 0.25000000 0.58142044 0.10519749 1.0 Er Er6 1 0.75000000 0.08112459 0.39519567 1.0 Er Er7 1 0.75000000 0.41890406 0.89663820 1.0 Er Er8 1 0.25000000 0.66122518 0.79953134 1.0 Er Er9 1 0.25000000 0.83936171 0.30047455 1.0 Er Er10 1 0.75000000 0.33991350 0.19888481 1.0 Er Er11 1 0.75000000 0.16035696 0.69949645 1.0 Si Si12 1 0.25000000 0.00992601 0.82095596 1.0 Si Si13 1 0.25000000 0.48948224 0.32159068 1.0 Si Si14 1 0.75000000 0.98988099 0.17899742 1.0 Si Si15 1 0.75000000 0.50861523 0.68048074 1.0 Si Si16 1 0.25000000 0.24767477 0.84072987 1.0 Si Si17 1 0.25000000 0.25318319 0.34076703 1.0 Si Si18 1 0.75000000 0.75377654 0.15858282 1.0 Si Si19 1 0.75000000 0.74779906 0.65827434 1.0 Si Si20 1 0.25000000 0.20087051 0.54320392 1.0 Si Si21 1 0.25000000 0.29835849 0.04365719 1.0 Si Si22 1 0.75000000 0.80003810 0.45639500 1.0 Si Si23 1 0.75000000 0.69913073 0.95611356 1.0 Ir Ir24 1 0.25000000 0.11050897 0.18019034 1.0 Ir Ir25 1 0.75000000 0.61145286 0.31981543 1.0 Ir Ir26 1 0.75000000 0.88920101 0.81992571 1.0 Ru Ru27 1 0.25000000 0.39068241 0.68055327 1.0