# generated using pymatgen data_Pr2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09351827 _cell_length_b 7.56486891 _cell_length_c 15.78155208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2S3 _chemical_formula_sum 'Pr8 S12' _cell_volume 488.70620424 _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 Pr Pr0 1 0.25000000 0.76467597 0.54425744 1.0 Pr Pr1 1 0.75000000 0.23532403 0.45574256 1.0 Pr Pr2 1 0.25000000 0.26467597 0.95574256 1.0 Pr Pr3 1 0.75000000 0.73532403 0.04425744 1.0 Pr Pr4 1 0.25000000 0.64500046 0.29568229 1.0 Pr Pr5 1 0.75000000 0.35499954 0.70431771 1.0 Pr Pr6 1 0.25000000 0.14500046 0.20431771 1.0 Pr Pr7 1 0.75000000 0.85499954 0.79568229 1.0 S S8 1 0.25000000 0.64565525 0.71898848 1.0 S S9 1 0.75000000 0.35434475 0.28101152 1.0 S S10 1 0.25000000 0.14565525 0.78101152 1.0 S S11 1 0.75000000 0.85434475 0.21898848 1.0 S S12 1 0.25000000 0.87332591 0.93278344 1.0 S S13 1 0.75000000 0.12667409 0.06721656 1.0 S S14 1 0.25000000 0.37332591 0.56721656 1.0 S S15 1 0.75000000 0.62667409 0.43278344 1.0 S S16 1 0.75000000 0.99028237 0.60929544 1.0 S S17 1 0.25000000 0.00971763 0.39070456 1.0 S S18 1 0.75000000 0.49028237 0.89070456 1.0 S S19 1 0.25000000 0.50971763 0.10929544 1.0