# generated using pymatgen data_Zr3Fe2Sb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30977200 _cell_length_b 6.84761299 _cell_length_c 22.07035474 _cell_angle_alpha 90.22032793 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Fe2Sb3 _chemical_formula_sum 'Zr12 Fe8 Sb12' _cell_volume 651.32778475 _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 Zr Zr0 1 0.75000000 0.50090800 0.09211800 1.0 Zr Zr1 1 0.75000000 0.50634600 0.42378700 1.0 Zr Zr2 1 0.75000000 0.50192100 0.75907900 1.0 Zr Zr3 1 0.75000000 0.00563900 0.07806700 1.0 Zr Zr4 1 0.75000000 0.00626600 0.40666400 1.0 Zr Zr5 1 0.75000000 0.00865700 0.74183900 1.0 Zr Zr6 1 0.25000000 0.49883200 0.24087600 1.0 Zr Zr7 1 0.25000000 0.50509700 0.57267500 1.0 Zr Zr8 1 0.25000000 0.50738400 0.90757500 1.0 Zr Zr9 1 0.25000000 0.99800800 0.25750500 1.0 Zr Zr10 1 0.25000000 0.99055400 0.59269000 1.0 Zr Zr11 1 0.25000000 0.99055800 0.92685400 1.0 Fe Fe12 1 0.75000000 0.84803900 0.52598400 1.0 Fe Fe13 1 0.75000000 0.84966100 0.85937000 1.0 Fe Fe14 1 0.25000000 0.64610700 0.02403300 1.0 Fe Fe15 1 0.25000000 0.64465500 0.35735400 1.0 Fe Fe16 1 0.25000000 0.64402100 0.68993500 1.0 Fe Fe17 1 0.25000000 0.14628600 0.14161100 1.0 Fe Fe18 1 0.25000000 0.14917300 0.47568900 1.0 Fe Fe19 1 0.25000000 0.14815000 0.80871000 1.0 Sb Sb20 1 0.75000000 0.23519100 0.19981100 1.0 Sb Sb21 1 0.75000000 0.23566000 0.53394400 1.0 Sb Sb22 1 0.75000000 0.23655400 0.86842600 1.0 Sb Sb23 1 0.75000000 0.73447800 0.29993800 1.0 Sb Sb24 1 0.75000000 0.72977800 0.63746600 1.0 Sb Sb25 1 0.75000000 0.73170700 0.97175000 1.0 Sb Sb26 1 0.25000000 0.76700900 0.13844700 1.0 Sb Sb27 1 0.25000000 0.77138100 0.46723400 1.0 Sb Sb28 1 0.25000000 0.76938500 0.80055000 1.0 Sb Sb29 1 0.25000000 0.27194400 0.02809200 1.0 Sb Sb30 1 0.25000000 0.26988600 0.36066300 1.0 Sb Sb31 1 0.25000000 0.27236900 0.69406300 1.0