# generated using pymatgen data_Hf6Co17P12W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59237898 _cell_length_b 10.21271823 _cell_length_c 11.83773463 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Co17P12W _chemical_formula_sum 'Hf6 Co17 P12 W1' _cell_volume 434.30226750 _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 0.46789219 1.0 Hf Hf1 1 0.25000000 0.75000000 0.52728916 1.0 Hf Hf2 1 0.25000000 0.92668179 0.79074724 1.0 Hf Hf3 1 0.25000000 0.57331821 0.79074724 1.0 Hf Hf4 1 0.75000000 0.07187533 0.20773432 1.0 Hf Hf5 1 0.75000000 0.42812467 0.20773432 1.0 Co Co6 1 0.75000000 0.75000000 0.16415791 1.0 Co Co7 1 0.25000000 0.25000000 0.29729564 1.0 Co Co8 1 0.75000000 0.75000000 0.70397112 1.0 Co Co9 1 0.75000000 0.25000000 0.01123840 1.0 Co Co10 1 0.25000000 0.75000000 0.98739860 1.0 Co Co11 1 0.25000000 0.41809239 0.00990712 1.0 Co Co12 1 0.25000000 0.08190761 0.00990712 1.0 Co Co13 1 0.75000000 0.58348978 0.99473677 1.0 Co Co14 1 0.75000000 0.91651022 0.99473677 1.0 Co Co15 1 0.25000000 0.45052396 0.56640153 1.0 Co Co16 1 0.25000000 0.04947604 0.56640153 1.0 Co Co17 1 0.75000000 0.54937507 0.43356400 1.0 Co Co18 1 0.75000000 0.95062493 0.43356400 1.0 Co Co19 1 0.25000000 0.87442898 0.29366012 1.0 Co Co20 1 0.25000000 0.62557102 0.29366012 1.0 Co Co21 1 0.75000000 0.12396702 0.70559981 1.0 Co Co22 1 0.75000000 0.37603298 0.70559981 1.0 P P23 1 0.25000000 0.25000000 0.12221548 1.0 P P24 1 0.75000000 0.75000000 0.87962631 1.0 P P25 1 0.25000000 0.25000000 0.63992287 1.0 P P26 1 0.75000000 0.75000000 0.35371066 1.0 P P27 1 0.25000000 0.43328796 0.38201673 1.0 P P28 1 0.25000000 0.06671204 0.38201673 1.0 P P29 1 0.75000000 0.56873859 0.61668168 1.0 P P30 1 0.75000000 0.93126141 0.61668168 1.0 P P31 1 0.25000000 0.90428439 0.11298501 1.0 P P32 1 0.25000000 0.59571561 0.11298501 1.0 P P33 1 0.75000000 0.08758593 0.88958744 1.0 P P34 1 0.75000000 0.41241407 0.88958744 1.0 W W35 1 0.25000000 0.25000000 0.83803913 1.0