# generated using pymatgen data_Pr3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49356135 _cell_length_b 7.49356266 _cell_length_c 7.49356183 _cell_angle_alpha 109.47121557 _cell_angle_beta 109.47121907 _cell_angle_gamma 109.47122658 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3S4 _chemical_formula_sum 'Pr6 S8' _cell_volume 323.92391931 _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 0.75000000 0.87500000 0.12500000 1.0 Pr Pr1 1 0.62500000 0.37500000 0.25000000 1.0 Pr Pr2 1 0.87500000 0.12500000 0.75000000 1.0 Pr Pr3 1 0.12500000 0.75000000 0.87500000 1.0 Pr Pr4 1 0.37500000 0.25000000 0.62500000 1.0 Pr Pr5 1 0.25000000 0.62500000 0.37500000 1.0 S S6 1 0.64861486 0.64861486 0.64861486 1.0 S S7 1 0.35138514 0.50000000 -0.00000000 1.0 S S8 1 0.50000000 0.00000000 0.35138514 1.0 S S9 1 0.00000000 0.35138514 0.50000000 1.0 S S10 1 0.50000000 0.00000000 0.85138514 1.0 S S11 1 0.00000000 0.85138514 0.50000000 1.0 S S12 1 0.14861486 0.14861486 0.14861486 1.0 S S13 1 0.85138514 0.50000000 -0.00000000 1.0