# CIF generated by HEAS from Alexandria entry agm003681981 data_agm003681981 _cell_length_a 8.22335 _cell_length_b 8.22335 _cell_length_c 8.22335 _cell_angle_alpha 112.56481 _cell_angle_beta 103.44686 _cell_angle_gamma 112.56481 _cell_volume 424.58118 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 Ba 0.00015 0.37243 0.12473 1.00000 Ba2 Ba 0.87527 0.87542 0.24770 1.00000 Ba3 Ba 0.75230 0.62757 0.62772 1.00000 Ba4 Ba 0.50000 0.00000 0.50000 1.00000 Ba5 Ba 0.37228 0.12458 0.99985 1.00000 Pb1 Pb 0.25000 0.50000 0.75000 1.00000 S1 S 0.09201 0.70595 0.99605 1.00000 S2 S 0.00395 0.09596 0.70990 1.00000 S3 S 0.74762 0.20842 0.32357 1.00000 S4 S 0.67643 0.42405 0.88485 1.00000 S5 S 0.46080 0.57595 0.25238 1.00000 S6 S 0.61394 0.90404 0.90799 1.00000 S7 S 0.29010 0.29405 0.38606 1.00000 S8 S 0.11515 0.79158 0.53920 1.00000