# generated using pymatgen data_ErCo2(PRu)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77042391 _cell_length_b 10.50333499 _cell_length_c 11.97897867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErCo2(PRu)3 _chemical_formula_sum 'Er4 Co8 P12 Ru12' _cell_volume 474.39181717 _cell_formula_units_Z 4 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 0.58448548 0.70661997 1.0 Er Er1 1 0.25000000 0.91551452 0.20661997 1.0 Er Er2 1 0.75000000 0.41551452 0.29338003 1.0 Er Er3 1 0.75000000 0.08448548 0.79338003 1.0 Co Co4 1 0.25000000 0.88771863 0.69736581 1.0 Co Co5 1 0.25000000 0.61228137 0.19736581 1.0 Co Co6 1 0.75000000 0.11228137 0.30263419 1.0 Co Co7 1 0.75000000 0.38771863 0.80263419 1.0 Co Co8 1 0.25000000 0.46262213 0.93357454 1.0 Co Co9 1 0.25000000 0.03737787 0.43357454 1.0 Co Co10 1 0.75000000 0.53737787 0.06642546 1.0 Co Co11 1 0.75000000 0.96262213 0.56642546 1.0 P P12 1 0.25000000 0.42664416 0.11252064 1.0 P P13 1 0.25000000 0.07335584 0.61252064 1.0 P P14 1 0.75000000 0.57335584 0.88747936 1.0 P P15 1 0.75000000 0.92664416 0.38747936 1.0 P P16 1 0.25000000 0.27068359 0.87166268 1.0 P P17 1 0.25000000 0.22931641 0.37166268 1.0 P P18 1 0.75000000 0.72931641 0.12833732 1.0 P P19 1 0.75000000 0.77068359 0.62833732 1.0 P P20 1 0.25000000 0.60148369 0.38673470 1.0 P P21 1 0.25000000 0.89851631 0.88673470 1.0 P P22 1 0.75000000 0.39851631 0.61326530 1.0 P P23 1 0.75000000 0.10148369 0.11326530 1.0 Ru Ru24 1 0.25000000 0.70606680 0.98787895 1.0 Ru Ru25 1 0.25000000 0.79393320 0.48787895 1.0 Ru Ru26 1 0.75000000 0.29393320 0.01212105 1.0 Ru Ru27 1 0.75000000 0.20606680 0.51212105 1.0 Ru Ru28 1 0.25000000 0.40569440 0.48550040 1.0 Ru Ru29 1 0.25000000 0.09430560 0.98550040 1.0 Ru Ru30 1 0.75000000 0.59430560 0.51449960 1.0 Ru Ru31 1 0.75000000 0.90569440 0.01449960 1.0 Ru Ru32 1 0.25000000 0.22494395 0.18096405 1.0 Ru Ru33 1 0.25000000 0.27505605 0.68096405 1.0 Ru Ru34 1 0.75000000 0.77505605 0.81903595 1.0 Ru Ru35 1 0.75000000 0.72494395 0.31903595 1.0