# CIF generated by HEAS from Alexandria entry agm005997540 data_agm005997540 _cell_length_a 8.92772 _cell_length_b 8.92772 _cell_length_c 9.85159 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 114.86307 _cell_volume 712.43528 _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 0.00000 0.50000 0.25344 1.00000 Ba2 Ba 0.50000 0.50000 0.00000 1.00000 Ba3 Ba 0.50000 0.00000 0.74656 1.00000 Pb1 Pb 0.50000 0.50000 0.50000 1.00000 I1 I 0.71671 0.28329 0.50000 1.00000 I2 I 0.73029 0.26971 0.00000 1.00000 I3 I 0.72254 0.75769 0.73600 1.00000 I4 I 0.75769 0.72254 0.26400 1.00000 I5 I 0.24231 0.27746 0.26400 1.00000 I6 I 0.27746 0.24231 0.73600 1.00000 I7 I 0.26971 0.73029 0.00000 1.00000 I8 I 0.28329 0.71671 0.50000 1.00000