# generated using pymatgen data_PrFeSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29798200 _cell_length_b 12.83754300 _cell_length_c 18.32800400 _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 'Pr12 Fe12 Sb36' _cell_volume 1481.83039032 _cell_formula_units_Z 12 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 0.52489600 0.29706800 0.58280500 1.0 Pr Pr1 1 0.47510400 0.70293200 0.41719500 1.0 Pr Pr2 1 0.47510400 0.70293200 0.08280500 1.0 Pr Pr3 1 0.02489600 0.70293200 0.91719500 1.0 Pr Pr4 1 0.52489600 0.29706800 0.91719500 1.0 Pr Pr5 1 0.97510400 0.29706800 0.08280500 1.0 Pr Pr6 1 0.97510400 0.29706800 0.41719500 1.0 Pr Pr7 1 0.02489600 0.70293200 0.58280500 1.0 Pr Pr8 1 0.05728500 0.30575700 0.75000000 1.0 Pr Pr9 1 0.94271500 0.69424300 0.25000000 1.0 Pr Pr10 1 0.55728500 0.69424300 0.75000000 1.0 Pr Pr11 1 0.44271500 0.30575700 0.25000000 1.0 Fe Fe12 1 0.25000000 0.10372500 0.50000000 1.0 Fe Fe13 1 0.75000000 0.89627500 0.50000000 1.0 Fe Fe14 1 0.75000000 0.89627500 0.00000000 1.0 Fe Fe15 1 0.25000000 0.10372500 0.00000000 1.0 Fe Fe16 1 0.82840300 0.09988900 0.67941000 1.0 Fe Fe17 1 0.17159700 0.90011100 0.32059000 1.0 Fe Fe18 1 0.17159700 0.90011100 0.17941000 1.0 Fe Fe19 1 0.32840300 0.90011100 0.82059000 1.0 Fe Fe20 1 0.82840300 0.09988900 0.82059000 1.0 Fe Fe21 1 0.67159700 0.09988900 0.17941000 1.0 Fe Fe22 1 0.67159700 0.09988900 0.32059000 1.0 Fe Fe23 1 0.32840300 0.90011100 0.67941000 1.0 Sb Sb24 1 0.29399700 0.50323800 0.66573500 1.0 Sb Sb25 1 0.70600300 0.49676200 0.33426500 1.0 Sb Sb26 1 0.70600300 0.49676200 0.16573500 1.0 Sb Sb27 1 0.79399700 0.49676200 0.83426500 1.0 Sb Sb28 1 0.29399700 0.50323800 0.83426500 1.0 Sb Sb29 1 0.20600300 0.50323800 0.16573500 1.0 Sb Sb30 1 0.20600300 0.50323800 0.33426500 1.0 Sb Sb31 1 0.79399700 0.49676200 0.66573500 1.0 Sb Sb32 1 0.17975300 0.05894100 0.75000000 1.0 Sb Sb33 1 0.82024700 0.94105900 0.25000000 1.0 Sb Sb34 1 0.67975300 0.94105900 0.75000000 1.0 Sb Sb35 1 0.32024700 0.05894100 0.25000000 1.0 Sb Sb36 1 0.25000000 0.49632000 0.50000000 1.0 Sb Sb37 1 0.75000000 0.50368000 0.50000000 1.0 Sb Sb38 1 0.75000000 0.50368000 0.00000000 1.0 Sb Sb39 1 0.25000000 0.49632000 0.00000000 1.0 Sb Sb40 1 0.53999500 0.02918900 0.58606100 1.0 Sb Sb41 1 0.46000500 0.97081100 0.41393900 1.0 Sb Sb42 1 0.46000500 0.97081100 0.08606100 1.0 Sb Sb43 1 0.03999500 0.97081100 0.91393900 1.0 Sb Sb44 1 0.53999500 0.02918900 0.91393900 1.0 Sb Sb45 1 0.96000500 0.02918900 0.08606100 1.0 Sb Sb46 1 0.96000500 0.02918900 0.41393900 1.0 Sb Sb47 1 0.03999500 0.97081100 0.58606100 1.0 Sb Sb48 1 0.02318600 0.21901600 0.58416500 1.0 Sb Sb49 1 0.97681400 0.78098400 0.41583500 1.0 Sb Sb50 1 0.97681400 0.78098400 0.08416500 1.0 Sb Sb51 1 0.52318600 0.78098400 0.91583500 1.0 Sb Sb52 1 0.02318600 0.21901600 0.91583500 1.0 Sb Sb53 1 0.47681400 0.21901600 0.08416500 1.0 Sb Sb54 1 0.47681400 0.21901600 0.41583500 1.0 Sb Sb55 1 0.52318600 0.78098400 0.58416500 1.0 Sb Sb56 1 0.55332200 0.21634700 0.75000000 1.0 Sb Sb57 1 0.44667800 0.78365300 0.25000000 1.0 Sb Sb58 1 0.05332200 0.78365300 0.75000000 1.0 Sb Sb59 1 0.94667800 0.21634700 0.25000000 1.0