# generated using pymatgen data_Pr3ZrSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.66390178 _cell_length_b 9.66389599 _cell_length_c 6.28223742 _cell_angle_alpha 90.00002670 _cell_angle_beta 90.00000221 _cell_angle_gamma 119.99983484 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3ZrSb5 _chemical_formula_sum 'Pr6 Zr2 Sb10' _cell_volume 508.10147335 _cell_formula_units_Z 2 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 0.61927814 -0.00000044 0.75000021 1.0 Pr Pr1 1 0.38072173 -0.00000156 0.24999969 1.0 Pr Pr2 1 0.00000204 0.61927902 0.75000030 1.0 Pr Pr3 1 0.00000004 0.38072114 0.24999969 1.0 Pr Pr4 1 0.38072117 0.38072212 0.75000022 1.0 Pr Pr5 1 0.61927753 0.61927960 0.24999979 1.0 Zr Zr6 1 -0.00000066 0.00000012 0.50000014 1.0 Zr Zr7 1 -0.00000035 0.00000017 0.00000021 1.0 Sb Sb8 1 0.26122069 -0.00000096 0.75000027 1.0 Sb Sb9 1 0.73877947 0.00000092 0.24999966 1.0 Sb Sb10 1 -0.00000074 0.26122057 0.75000037 1.0 Sb Sb11 1 0.00000150 0.73878036 0.24999970 1.0 Sb Sb12 1 0.73877969 0.73878084 0.75000020 1.0 Sb Sb13 1 0.26121993 0.26122057 0.24999968 1.0 Sb Sb14 1 0.33333241 0.66666762 0.50000003 1.0 Sb Sb15 1 0.66666749 0.33333122 0.50000006 1.0 Sb Sb16 1 0.66666754 0.33333120 -0.00000016 1.0 Sb Sb17 1 0.33333237 0.66666748 -0.00000007 1.0