# generated using pymatgen data_Er3Co8P6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66097023 _cell_length_b 10.45190754 _cell_length_c 12.08139544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Co8P6Ru _chemical_formula_sum 'Er6 Co16 P12 Ru2' _cell_volume 462.28399331 _cell_formula_units_Z 2 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 0.75000000 0.25000000 0.47394225 1.0 Er Er1 1 0.25000000 0.75000000 0.52605775 1.0 Er Er2 1 0.25000000 0.93145546 0.79354019 1.0 Er Er3 1 0.25000000 0.56854454 0.79354019 1.0 Er Er4 1 0.75000000 0.06854454 0.20645981 1.0 Er Er5 1 0.75000000 0.43145546 0.20645981 1.0 Co Co6 1 0.25000000 0.25000000 0.29623821 1.0 Co Co7 1 0.75000000 0.75000000 0.70376179 1.0 Co Co8 1 0.75000000 0.25000000 0.01278402 1.0 Co Co9 1 0.25000000 0.75000000 0.98721598 1.0 Co Co10 1 0.25000000 0.41766747 0.00909808 1.0 Co Co11 1 0.25000000 0.08233253 0.00909808 1.0 Co Co12 1 0.75000000 0.58233253 0.99090192 1.0 Co Co13 1 0.75000000 0.91766747 0.99090192 1.0 Co Co14 1 0.25000000 0.45261369 0.56858555 1.0 Co Co15 1 0.25000000 0.04738631 0.56858555 1.0 Co Co16 1 0.75000000 0.54738631 0.43141445 1.0 Co Co17 1 0.75000000 0.95261369 0.43141445 1.0 Co Co18 1 0.25000000 0.87142452 0.29185715 1.0 Co Co19 1 0.25000000 0.62857548 0.29185715 1.0 Co Co20 1 0.75000000 0.12857548 0.70814285 1.0 Co Co21 1 0.75000000 0.37142452 0.70814285 1.0 P P22 1 0.25000000 0.25000000 0.11803026 1.0 P P23 1 0.75000000 0.75000000 0.88196974 1.0 P P24 1 0.25000000 0.25000000 0.64985808 1.0 P P25 1 0.75000000 0.75000000 0.35014192 1.0 P P26 1 0.25000000 0.43830950 0.38381968 1.0 P P27 1 0.25000000 0.06169050 0.38381968 1.0 P P28 1 0.75000000 0.56169050 0.61618032 1.0 P P29 1 0.75000000 0.93830950 0.61618032 1.0 P P30 1 0.25000000 0.90454632 0.10683732 1.0 P P31 1 0.25000000 0.59545368 0.10683732 1.0 P P32 1 0.75000000 0.09545368 0.89316268 1.0 P P33 1 0.75000000 0.40454632 0.89316268 1.0 Ru Ru34 1 0.25000000 0.25000000 0.84297032 1.0 Ru Ru35 1 0.75000000 0.75000000 0.15702968 1.0