# generated using pymatgen data_Pr5S9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.23014343 _cell_length_b 12.23014343 _cell_length_c 10.00862613 _cell_angle_alpha 82.02438545 _cell_angle_beta 82.02438545 _cell_angle_gamma 26.34404139 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5S9 _chemical_formula_sum 'Pr10 S18' _cell_volume 657.55335234 _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 0.94054100 0.04451500 0.23533300 1.0 Pr Pr1 1 0.14907100 0.24973800 0.84846900 1.0 Pr Pr2 1 0.34571900 0.44431300 0.42764400 1.0 Pr Pr3 1 0.53268800 0.65652400 0.04144200 1.0 Pr Pr4 1 0.76049800 0.83216400 0.63146400 1.0 Pr Pr5 1 0.34347600 0.46731200 0.95855800 1.0 Pr Pr6 1 0.55568700 0.65428100 0.57235600 1.0 Pr Pr7 1 0.75026200 0.85092900 0.15153100 1.0 Pr Pr8 1 0.95548500 0.05945900 0.76466700 1.0 Pr Pr9 1 0.16783600 0.23950200 0.36853600 1.0 S S10 1 0.47249000 0.57495300 0.82134200 1.0 S S11 1 0.07389200 0.17657000 0.62617700 1.0 S S12 1 0.86537900 0.98227000 0.01192300 1.0 S S13 1 0.68357800 0.75661600 0.42250600 1.0 S S14 1 0.27071400 0.37345400 0.21338800 1.0 S S15 1 0.01773000 0.13462100 0.98807700 1.0 S S16 1 0.62654600 0.72928600 0.78661200 1.0 S S17 1 0.42504700 0.52751000 0.17865800 1.0 S S18 1 0.24338400 0.31642200 0.57749400 1.0 S S19 1 0.82343000 0.92610800 0.37382300 1.0 S S20 1 0.69950500 0.30049500 0.50000000 1.0 S S21 1 0.28601800 0.88863600 0.32700400 1.0 S S22 1 0.11136400 0.71398200 0.67299600 1.0 S S23 1 0.89159600 0.48614200 0.12404800 1.0 S S24 1 0.51385800 0.10840400 0.87595200 1.0 S S25 1 0.00287600 0.60780900 0.88778800 1.0 S S26 1 0.19913800 0.80086200 0.50000000 1.0 S S27 1 0.39219100 0.99712400 0.11221200 1.0