# generated using pymatgen data_Pr3TiSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.58748525 _cell_length_b 9.58724819 _cell_length_c 6.20903410 _cell_angle_alpha 90.00065491 _cell_angle_beta 90.00065110 _cell_angle_gamma 119.99767923 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3TiSb5 _chemical_formula_sum 'Pr6 Ti2 Sb10' _cell_volume 494.26915799 _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 0.62017813 -0.00000829 0.25000757 1.0 Pr Pr1 1 0.37981677 0.00000038 0.74998605 1.0 Pr Pr2 1 0.00000590 0.62016524 0.25000170 1.0 Pr Pr3 1 -0.00000059 0.37983390 0.74999919 1.0 Pr Pr4 1 0.37982021 0.37982153 0.25000877 1.0 Pr Pr5 1 0.62018421 0.62018227 0.74999268 1.0 Ti Ti6 1 -0.00000425 -0.00000088 -0.00000277 1.0 Ti Ti7 1 -0.00000303 -0.00000099 0.50000147 1.0 Sb Sb8 1 0.25025361 0.00002484 0.25002302 1.0 Sb Sb9 1 0.74973798 -0.00003500 0.75000096 1.0 Sb Sb10 1 0.00000048 0.25025500 0.25000792 1.0 Sb Sb11 1 0.00000421 0.74974499 0.74999391 1.0 Sb Sb12 1 0.74973883 0.74976931 0.25000353 1.0 Sb Sb13 1 0.25026427 0.25022979 0.74999732 1.0 Sb Sb14 1 0.33333695 0.66666635 -0.00000093 1.0 Sb Sb15 1 0.66666306 0.33333506 -0.00002499 1.0 Sb Sb16 1 0.66666652 0.33335223 0.50000043 1.0 Sb Sb17 1 0.33333674 0.66666627 0.50000517 1.0