# generated using pymatgen data_PrFeSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18337700 _cell_length_b 12.18688500 _cell_length_c 12.88802400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrFeSb3 _chemical_formula_sum 'Pr8 Fe8 Sb24' _cell_volume 971.19128219 _cell_formula_units_Z 8 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 Pr Pr0 1 0.25000000 0.50000000 0.70275800 1.0 Pr Pr1 1 0.75000000 0.00000000 0.29724200 1.0 Pr Pr2 1 0.75000000 0.50000000 0.29724200 1.0 Pr Pr3 1 0.25000000 0.00000000 0.70275800 1.0 Pr Pr4 1 0.22352900 0.25000000 0.30337600 1.0 Pr Pr5 1 0.77647100 0.75000000 0.69662400 1.0 Pr Pr6 1 0.27647100 0.75000000 0.30337600 1.0 Pr Pr7 1 0.72352900 0.25000000 0.69662400 1.0 Fe Fe8 1 0.46306800 0.36191800 0.09892500 1.0 Fe Fe9 1 0.53693200 0.86191800 0.90107500 1.0 Fe Fe10 1 0.03693200 0.63808200 0.09892500 1.0 Fe Fe11 1 0.96306800 0.13808200 0.90107500 1.0 Fe Fe12 1 0.53693200 0.63808200 0.90107500 1.0 Fe Fe13 1 0.46306800 0.13808200 0.09892500 1.0 Fe Fe14 1 0.96306800 0.36191800 0.90107500 1.0 Fe Fe15 1 0.03693200 0.86191800 0.09892500 1.0 Sb Sb16 1 0.25000000 0.50000000 0.97221100 1.0 Sb Sb17 1 0.75000000 0.00000000 0.02778900 1.0 Sb Sb18 1 0.75000000 0.50000000 0.02778900 1.0 Sb Sb19 1 0.25000000 0.00000000 0.97221100 1.0 Sb Sb20 1 0.23249600 0.25000000 0.78757000 1.0 Sb Sb21 1 0.76750400 0.75000000 0.21243000 1.0 Sb Sb22 1 0.26750400 0.75000000 0.78757000 1.0 Sb Sb23 1 0.73249600 0.25000000 0.21243000 1.0 Sb Sb24 1 0.98694600 0.37614400 0.50270500 1.0 Sb Sb25 1 0.01305400 0.87614400 0.49729500 1.0 Sb Sb26 1 0.51305400 0.62385600 0.50270500 1.0 Sb Sb27 1 0.48694600 0.12385600 0.49729500 1.0 Sb Sb28 1 0.01305400 0.62385600 0.49729500 1.0 Sb Sb29 1 0.98694600 0.12385600 0.50270500 1.0 Sb Sb30 1 0.48694600 0.37614400 0.49729500 1.0 Sb Sb31 1 0.51305400 0.87614400 0.50270500 1.0 Sb Sb32 1 0.25000000 0.50000000 0.21530200 1.0 Sb Sb33 1 0.75000000 0.00000000 0.78469800 1.0 Sb Sb34 1 0.75000000 0.50000000 0.78469800 1.0 Sb Sb35 1 0.25000000 0.00000000 0.21530200 1.0 Sb Sb36 1 0.61343500 0.25000000 0.94345200 1.0 Sb Sb37 1 0.38656500 0.75000000 0.05654800 1.0 Sb Sb38 1 0.88656500 0.75000000 0.94345200 1.0 Sb Sb39 1 0.11343500 0.25000000 0.05654800 1.0