# generated using pymatgen data_Pr5Sn2BiS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.48705871 _cell_length_b 9.51198625 _cell_length_c 6.93455433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.08696485 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5Sn2BiS _chemical_formula_sum 'Pr10 Sn4 Bi2 S2' _cell_volume 541.46544074 _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 0.67102571 0.33642784 0.00356597 1.0 Pr Pr1 1 0.32897429 0.66540313 0.00356597 1.0 Pr Pr2 1 0.32897429 0.66540313 0.49643403 1.0 Pr Pr3 1 0.67102571 0.33642784 0.49643403 1.0 Pr Pr4 1 0.75682036 0.75179162 0.75000000 1.0 Pr Pr5 1 0.24317964 0.99497026 0.75000000 1.0 Pr Pr6 1 1.00000000 0.24914801 0.75000000 1.0 Pr Pr7 1 0.24685092 0.24614389 0.25000000 1.0 Pr Pr8 1 0.75314908 0.99929397 0.25000000 1.0 Pr Pr9 1 0.00000000 0.75332944 0.25000000 1.0 Sn Sn10 1 1.00000000 0.60355409 0.75000000 1.0 Sn Sn11 1 0.60386216 0.60485020 0.25000000 1.0 Sn Sn12 1 0.39613784 0.00098704 0.25000000 1.0 Sn Sn13 1 0.00000000 0.39506581 0.25000000 1.0 Bi Bi14 1 0.39600876 0.39515840 0.75000000 1.0 Bi Bi15 1 0.60399124 0.99914964 0.75000000 1.0 S S16 1 1.00000000 0.00144784 0.99868993 1.0 S S17 1 1.00000000 0.00144784 0.50131007 1.0