# generated using pymatgen data_Hf5Co16(P4Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.73350046 _cell_length_b 11.73350096 _cell_length_c 3.61390029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000408 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Co16(P4Ru)3 _chemical_formula_sum 'Hf5 Co16 P12 Ru3' _cell_volume 430.88560665 _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 0.66666700 0.33333300 0.00000000 1.0 Hf Hf1 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf2 1 0.82119108 0.82119108 0.50000000 1.0 Hf Hf3 1 0.17880892 1.00000000 0.50000000 1.0 Hf Hf4 1 1.00000000 0.17880892 0.50000000 1.0 Co Co5 1 0.87071962 0.35544971 0.50000000 1.0 Co Co6 1 0.64455029 0.51526991 0.50000000 1.0 Co Co7 1 0.48473009 0.12928038 0.50000000 1.0 Co Co8 1 0.35544971 0.87071962 0.50000000 1.0 Co Co9 1 0.51526991 0.64455029 0.50000000 1.0 Co Co10 1 0.12928038 0.48473009 0.50000000 1.0 Co Co11 1 0.80589913 0.17987949 0.00000000 1.0 Co Co12 1 0.82012051 0.62601764 0.00000000 1.0 Co Co13 1 0.37398236 0.19410087 0.00000000 1.0 Co Co14 1 0.17987949 0.80589913 0.00000000 1.0 Co Co15 1 0.62601764 0.82012051 0.00000000 1.0 Co Co16 1 0.19410087 0.37398236 0.00000000 1.0 Co Co17 1 0.28183992 0.28183992 0.50000000 1.0 Co Co18 1 0.71816008 1.00000000 0.50000000 1.0 Co Co19 1 1.00000000 0.71816008 0.50000000 1.0 Co Co20 1 0.00000000 0.00000000 0.00000000 1.0 P P21 1 0.68524386 0.16717211 0.50000000 1.0 P P22 1 0.83282789 0.51807175 0.50000000 1.0 P P23 1 0.48192825 0.31475614 0.50000000 1.0 P P24 1 0.16717211 0.68524386 0.50000000 1.0 P P25 1 0.51807175 0.83282789 0.50000000 1.0 P P26 1 0.31475614 0.48192825 0.50000000 1.0 P P27 1 0.17671676 0.17671676 0.00000000 1.0 P P28 1 0.82328324 1.00000000 0.00000000 1.0 P P29 1 1.00000000 0.82328324 0.00000000 1.0 P P30 1 0.64288391 0.64288391 0.00000000 1.0 P P31 1 0.35711609 0.00000000 0.00000000 1.0 P P32 1 0.00000000 0.35711609 0.00000000 1.0 Ru Ru33 1 0.44882530 0.44882530 0.00000000 1.0 Ru Ru34 1 0.55117470 0.00000000 0.00000000 1.0 Ru Ru35 1 0.00000000 0.55117470 0.00000000 1.0