# generated using pymatgen data_HfFe4P3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58660993 _cell_length_b 10.10717078 _cell_length_c 12.00530184 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFe4P3W _chemical_formula_sum 'Hf4 Fe16 P12 W4' _cell_volume 435.19794281 _cell_formula_units_Z 4 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 0.25000000 0.58322033 0.71362600 1.0 Hf Hf1 1 0.25000000 0.91677967 0.21362600 1.0 Hf Hf2 1 0.75000000 0.41677967 0.28637400 1.0 Hf Hf3 1 0.75000000 0.08322033 0.78637400 1.0 Fe Fe4 1 0.25000000 0.41151557 0.48641892 1.0 Fe Fe5 1 0.25000000 0.08848443 0.98641892 1.0 Fe Fe6 1 0.75000000 0.58848443 0.51358108 1.0 Fe Fe7 1 0.75000000 0.91151557 0.01358108 1.0 Fe Fe8 1 0.25000000 0.22150454 0.17355995 1.0 Fe Fe9 1 0.25000000 0.27849546 0.67355995 1.0 Fe Fe10 1 0.75000000 0.77849546 0.82644005 1.0 Fe Fe11 1 0.75000000 0.72150454 0.32644005 1.0 Fe Fe12 1 0.25000000 0.88541030 0.69890512 1.0 Fe Fe13 1 0.25000000 0.61458970 0.19890512 1.0 Fe Fe14 1 0.75000000 0.11458970 0.30109488 1.0 Fe Fe15 1 0.75000000 0.38541030 0.80109488 1.0 Fe Fe16 1 0.25000000 0.46449383 0.93379647 1.0 Fe Fe17 1 0.25000000 0.03550617 0.43379647 1.0 Fe Fe18 1 0.75000000 0.53550617 0.06620353 1.0 Fe Fe19 1 0.75000000 0.96449383 0.56620353 1.0 P P20 1 0.25000000 0.42247018 0.11435737 1.0 P P21 1 0.25000000 0.07752982 0.61435737 1.0 P P22 1 0.75000000 0.57752982 0.88564263 1.0 P P23 1 0.75000000 0.92247018 0.38564263 1.0 P P24 1 0.25000000 0.26965306 0.85512744 1.0 P P25 1 0.25000000 0.23034694 0.35512744 1.0 P P26 1 0.75000000 0.73034694 0.14487256 1.0 P P27 1 0.75000000 0.76965306 0.64487256 1.0 P P28 1 0.25000000 0.59638718 0.37689231 1.0 P P29 1 0.25000000 0.90361282 0.87689231 1.0 P P30 1 0.75000000 0.40361282 0.62310769 1.0 P P31 1 0.75000000 0.09638718 0.12310769 1.0 W W32 1 0.25000000 0.70909165 0.99413857 1.0 W W33 1 0.25000000 0.79090835 0.49413857 1.0 W W34 1 0.75000000 0.29090835 0.00586143 1.0 W W35 1 0.75000000 0.20909165 0.50586143 1.0