# generated using pymatgen data_Hf6NbCo17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59037370 _cell_length_b 10.24400076 _cell_length_c 11.87790154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6NbCo17P12 _chemical_formula_sum 'Hf6 Nb1 Co17 P12' _cell_volume 436.86673471 _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 0.75000000 0.25000000 0.46553897 1.0 Hf Hf1 1 0.25000000 0.75000000 0.52667963 1.0 Hf Hf2 1 0.25000000 0.92543781 0.79112301 1.0 Hf Hf3 1 0.25000000 0.57456219 0.79112301 1.0 Hf Hf4 1 0.75000000 0.07220404 0.20712209 1.0 Hf Hf5 1 0.75000000 0.42779596 0.20712209 1.0 Nb Nb6 1 0.25000000 0.25000000 0.83972081 1.0 Co Co7 1 0.75000000 0.75000000 0.16536902 1.0 Co Co8 1 0.25000000 0.25000000 0.29734804 1.0 Co Co9 1 0.75000000 0.75000000 0.70385663 1.0 Co Co10 1 0.75000000 0.25000000 0.01347866 1.0 Co Co11 1 0.25000000 0.75000000 0.98717049 1.0 Co Co12 1 0.25000000 0.41998572 0.01124409 1.0 Co Co13 1 0.25000000 0.08001428 0.01124409 1.0 Co Co14 1 0.75000000 0.58504600 0.99719516 1.0 Co Co15 1 0.75000000 0.91495400 0.99719516 1.0 Co Co16 1 0.25000000 0.45160501 0.56505218 1.0 Co Co17 1 0.25000000 0.04839499 0.56505218 1.0 Co Co18 1 0.75000000 0.54987198 0.43347804 1.0 Co Co19 1 0.75000000 0.95012802 0.43347804 1.0 Co Co20 1 0.25000000 0.87423042 0.29403096 1.0 Co Co21 1 0.25000000 0.62576958 0.29403096 1.0 Co Co22 1 0.75000000 0.12308408 0.70343427 1.0 Co Co23 1 0.75000000 0.37691592 0.70343427 1.0 P P24 1 0.25000000 0.25000000 0.12195672 1.0 P P25 1 0.75000000 0.75000000 0.88002801 1.0 P P26 1 0.25000000 0.25000000 0.63385489 1.0 P P27 1 0.75000000 0.75000000 0.35389198 1.0 P P28 1 0.25000000 0.43400982 0.38117367 1.0 P P29 1 0.25000000 0.06599018 0.38117367 1.0 P P30 1 0.75000000 0.56913455 0.61625962 1.0 P P31 1 0.75000000 0.93086545 0.61625962 1.0 P P32 1 0.25000000 0.90288675 0.11403314 1.0 P P33 1 0.25000000 0.59711325 0.11403314 1.0 P P34 1 0.75000000 0.08353808 0.89140585 1.0 P P35 1 0.75000000 0.41646192 0.89140585 1.0