# generated using pymatgen data_Hf4Fe9P12Ru11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73143844 _cell_length_b 10.30727761 _cell_length_c 11.90322571 _cell_angle_alpha 89.96739375 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Fe9P12Ru11 _chemical_formula_sum 'Hf4 Fe9 P12 Ru11' _cell_volume 457.80955500 _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 0.25000000 0.57882608 0.70810356 1.0 Hf Hf1 1 0.25000000 0.91659637 0.21060048 1.0 Hf Hf2 1 0.75000000 0.42448252 0.29259360 1.0 Hf Hf3 1 0.75000000 0.07842426 0.79122796 1.0 Fe Fe4 1 0.75000000 0.72714079 0.32494572 1.0 Fe Fe5 1 0.25000000 0.88319882 0.69915236 1.0 Fe Fe6 1 0.25000000 0.62123819 0.20180049 1.0 Fe Fe7 1 0.75000000 0.11196800 0.29854939 1.0 Fe Fe8 1 0.75000000 0.38537054 0.79895507 1.0 Fe Fe9 1 0.25000000 0.46324860 0.93496940 1.0 Fe Fe10 1 0.25000000 0.03631859 0.43263646 1.0 Fe Fe11 1 0.75000000 0.53780545 0.06812384 1.0 Fe Fe12 1 0.75000000 0.96251287 0.56445093 1.0 P P13 1 0.25000000 0.43441284 0.11634285 1.0 P P14 1 0.25000000 0.06782445 0.61385599 1.0 P P15 1 0.75000000 0.56825598 0.88680954 1.0 P P16 1 0.75000000 0.92401220 0.38342228 1.0 P P17 1 0.25000000 0.26957041 0.86584963 1.0 P P18 1 0.25000000 0.23079095 0.36552317 1.0 P P19 1 0.75000000 0.72992291 0.14270108 1.0 P P20 1 0.75000000 0.76966123 0.63431091 1.0 P P21 1 0.25000000 0.60513690 0.38272509 1.0 P P22 1 0.25000000 0.89816695 0.88482312 1.0 P P23 1 0.75000000 0.40055697 0.61378840 1.0 P P24 1 0.75000000 0.10017347 0.11504299 1.0 Ru Ru25 1 0.25000000 0.70509664 0.99129048 1.0 Ru Ru26 1 0.25000000 0.79645829 0.48464538 1.0 Ru Ru27 1 0.75000000 0.29456073 0.00843634 1.0 Ru Ru28 1 0.75000000 0.20511102 0.50779926 1.0 Ru Ru29 1 0.25000000 0.40782801 0.47828800 1.0 Ru Ru30 1 0.25000000 0.09286556 0.97914953 1.0 Ru Ru31 1 0.75000000 0.59680034 0.51792667 1.0 Ru Ru32 1 0.75000000 0.90346830 0.02394976 1.0 Ru Ru33 1 0.25000000 0.23014071 0.17710311 1.0 Ru Ru34 1 0.25000000 0.27117609 0.67652216 1.0 Ru Ru35 1 0.75000000 0.77087798 0.82358701 1.0