# generated using pymatgen data_Hf8Co13(P4Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63266014 _cell_length_b 12.10383839 _cell_length_c 12.10383745 _cell_angle_alpha 120.00000009 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Co13(P4Ru)3 _chemical_formula_sum 'Hf8 Co13 P12 Ru3' _cell_volume 460.89457849 _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 Hf Hf0 1 0.00000000 0.44697452 0.44046288 1.0 Hf Hf1 1 0.00000000 0.55953712 0.00651164 1.0 Hf Hf2 1 0.00000000 0.99348836 0.55302548 1.0 Hf Hf3 1 0.00000000 0.66666700 0.33333300 1.0 Hf Hf4 1 0.00000000 0.33333300 0.66666700 1.0 Hf Hf5 1 0.50000000 0.82546425 0.82815870 1.0 Hf Hf6 1 0.50000000 0.17184130 0.99730455 1.0 Hf Hf7 1 0.50000000 0.00269545 0.17453575 1.0 Co Co8 1 0.00000000 0.19613465 0.36306453 1.0 Co Co9 1 0.00000000 0.16692988 0.80386535 1.0 Co Co10 1 0.00000000 0.81978285 0.63028386 1.0 Co Co11 1 0.00000000 0.81050100 0.18021715 1.0 Co Co12 1 0.00000000 0.36971614 0.18949900 1.0 Co Co13 1 0.50000000 0.64288270 0.50738339 1.0 Co Co14 1 0.50000000 0.86449970 0.35711730 1.0 Co Co15 1 0.50000000 0.49261661 0.13550030 1.0 Co Co16 1 0.00000000 0.00000000 0.00000000 1.0 Co Co17 1 0.50000000 0.72574379 0.00591433 1.0 Co Co18 1 0.50000000 0.99408567 0.71982845 1.0 Co Co19 1 0.00000000 0.63693547 0.83307012 1.0 Co Co20 1 0.50000000 0.28017155 0.27425621 1.0 P P21 1 0.00000000 0.65780229 0.65876305 1.0 P P22 1 0.00000000 0.34123695 0.99904024 1.0 P P23 1 0.00000000 0.00095976 0.34219771 1.0 P P24 1 0.50000000 0.48198301 0.30615497 1.0 P P25 1 0.50000000 0.69384503 0.17582804 1.0 P P26 1 0.50000000 0.82417196 0.51801699 1.0 P P27 1 0.50000000 0.52184172 0.83438562 1.0 P P28 1 0.50000000 0.16561438 0.68745610 1.0 P P29 1 0.00000000 0.82846968 0.00345600 1.0 P P30 1 0.00000000 0.99654400 0.82501369 1.0 P P31 1 0.50000000 0.31254390 0.47815828 1.0 P P32 1 0.00000000 0.17498631 0.17153032 1.0 Ru Ru33 1 0.50000000 0.12237368 0.47449263 1.0 Ru Ru34 1 0.50000000 0.35211895 0.87762632 1.0 Ru Ru35 1 0.50000000 0.52550737 0.64788105 1.0