# generated using pymatgen data_PrCo2(PRu)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81714817 _cell_length_b 10.62843741 _cell_length_c 12.16827288 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrCo2(PRu)3 _chemical_formula_sum 'Pr4 Co8 P12 Ru12' _cell_volume 493.67073045 _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 Pr Pr0 1 0.25000000 0.58397041 0.70679062 1.0 Pr Pr1 1 0.25000000 0.91602959 0.20679062 1.0 Pr Pr2 1 0.75000000 0.41602959 0.29320938 1.0 Pr Pr3 1 0.75000000 0.08397041 0.79320938 1.0 Co Co4 1 0.25000000 0.88638590 0.69496823 1.0 Co Co5 1 0.25000000 0.61361410 0.19496823 1.0 Co Co6 1 0.75000000 0.11361410 0.30503177 1.0 Co Co7 1 0.75000000 0.38638590 0.80503177 1.0 Co Co8 1 0.25000000 0.46315647 0.93503618 1.0 Co Co9 1 0.25000000 0.03684353 0.43503618 1.0 Co Co10 1 0.75000000 0.53684353 0.06496382 1.0 Co Co11 1 0.75000000 0.96315647 0.56496382 1.0 P P12 1 0.25000000 0.42607954 0.10907261 1.0 P P13 1 0.25000000 0.07392046 0.60907261 1.0 P P14 1 0.75000000 0.57392046 0.89092739 1.0 P P15 1 0.75000000 0.92607954 0.39092739 1.0 P P16 1 0.25000000 0.27579564 0.87095675 1.0 P P17 1 0.25000000 0.22420436 0.37095675 1.0 P P18 1 0.75000000 0.72420436 0.12904325 1.0 P P19 1 0.75000000 0.77579564 0.62904325 1.0 P P20 1 0.25000000 0.60661915 0.38994763 1.0 P P21 1 0.25000000 0.89338085 0.88994763 1.0 P P22 1 0.75000000 0.39338085 0.61005237 1.0 P P23 1 0.75000000 0.10661915 0.11005237 1.0 Ru Ru24 1 0.25000000 0.70428909 0.98721612 1.0 Ru Ru25 1 0.25000000 0.79571091 0.48721612 1.0 Ru Ru26 1 0.75000000 0.29571091 0.01278388 1.0 Ru Ru27 1 0.75000000 0.20428909 0.51278388 1.0 Ru Ru28 1 0.25000000 0.40406493 0.48752980 1.0 Ru Ru29 1 0.25000000 0.09593507 0.98752980 1.0 Ru Ru30 1 0.75000000 0.59593507 0.51247020 1.0 Ru Ru31 1 0.75000000 0.90406493 0.01247020 1.0 Ru Ru32 1 0.25000000 0.22325353 0.17883073 1.0 Ru Ru33 1 0.25000000 0.27674647 0.67883073 1.0 Ru Ru34 1 0.75000000 0.77674647 0.82116927 1.0 Ru Ru35 1 0.75000000 0.72325353 0.32116927 1.0