# generated using pymatgen data_Hf6CrCo17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58115442 _cell_length_b 10.21239909 _cell_length_c 11.82246184 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6CrCo17P12 _chemical_formula_sum 'Hf6 Cr1 Co17 P12' _cell_volume 432.37318050 _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 0.46744115 1.0 Hf Hf1 1 0.25000000 0.75000000 0.52673558 1.0 Hf Hf2 1 0.25000000 0.92653423 0.79151714 1.0 Hf Hf3 1 0.25000000 0.57346577 0.79151714 1.0 Hf Hf4 1 0.75000000 0.07209815 0.20734099 1.0 Hf Hf5 1 0.75000000 0.42790185 0.20734099 1.0 Cr Cr6 1 0.25000000 0.25000000 0.83962969 1.0 Co Co7 1 0.75000000 0.75000000 0.16325423 1.0 Co Co8 1 0.25000000 0.25000000 0.29696786 1.0 Co Co9 1 0.75000000 0.75000000 0.70391269 1.0 Co Co10 1 0.75000000 0.25000000 0.01066171 1.0 Co Co11 1 0.25000000 0.75000000 0.98824447 1.0 Co Co12 1 0.25000000 0.41802249 0.00791016 1.0 Co Co13 1 0.25000000 0.08197751 0.00791016 1.0 Co Co14 1 0.75000000 0.58338613 0.99466470 1.0 Co Co15 1 0.75000000 0.91661387 0.99466470 1.0 Co Co16 1 0.25000000 0.45019941 0.56768245 1.0 Co Co17 1 0.25000000 0.04980059 0.56768245 1.0 Co Co18 1 0.75000000 0.54968340 0.43386338 1.0 Co Co19 1 0.75000000 0.95031660 0.43386338 1.0 Co Co20 1 0.25000000 0.87433373 0.29322100 1.0 Co Co21 1 0.25000000 0.62566627 0.29322100 1.0 Co Co22 1 0.75000000 0.12677212 0.70702790 1.0 Co Co23 1 0.75000000 0.37322788 0.70702790 1.0 P P24 1 0.25000000 0.25000000 0.12099078 1.0 P P25 1 0.75000000 0.75000000 0.87999068 1.0 P P26 1 0.25000000 0.25000000 0.63951260 1.0 P P27 1 0.75000000 0.75000000 0.35318246 1.0 P P28 1 0.25000000 0.43356384 0.38210336 1.0 P P29 1 0.25000000 0.06643616 0.38210336 1.0 P P30 1 0.75000000 0.56833674 0.61706416 1.0 P P31 1 0.75000000 0.93166326 0.61706416 1.0 P P32 1 0.25000000 0.90528555 0.11253275 1.0 P P33 1 0.25000000 0.59471445 0.11253275 1.0 P P34 1 0.75000000 0.08983655 0.88981206 1.0 P P35 1 0.75000000 0.41016345 0.88981206 1.0