# generated using pymatgen data_Pr2SnS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97772032 _cell_length_b 7.93534252 _cell_length_c 11.32056708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2SnS5 _chemical_formula_sum 'Pr4 Sn2 S10' _cell_volume 357.32886813 _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 0.50000000 0.43300370 0.16982495 1.0 Pr Pr1 1 0.50000000 0.06699630 0.66982495 1.0 Pr Pr2 1 0.50000000 0.56699630 0.83017505 1.0 Pr Pr3 1 0.50000000 0.93300370 0.33017505 1.0 Sn Sn4 1 0.00000000 0.50000000 0.50000000 1.0 Sn Sn5 1 -0.00000000 -0.00000000 0.00000000 1.0 S S6 1 -0.00000000 0.35129655 0.70025909 1.0 S S7 1 0.00000000 0.14870345 0.20025909 1.0 S S8 1 0.00000000 -0.00000000 0.50000000 1.0 S S9 1 0.50000000 0.81564174 0.07427982 1.0 S S10 1 -0.00000000 0.50000000 0.00000000 1.0 S S11 1 0.00000000 0.64870345 0.29974091 1.0 S S12 1 0.50000000 0.31564174 0.42572018 1.0 S S13 1 0.50000000 0.68435826 0.57427982 1.0 S S14 1 0.50000000 0.18435826 0.92572018 1.0 S S15 1 -0.00000000 0.85129655 0.79974091 1.0