# CIF generated by HEAS from Alexandria entry agm005677946 data_agm005677946 _cell_length_a 3.38012 _cell_length_b 3.38012 _cell_length_c 12.48435 _cell_angle_alpha 90.18135 _cell_angle_beta 97.59660 _cell_angle_gamma 120.00281 _cell_volume 122.03974 _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 Pa1 Pa 0.89757 0.44694 0.34451 1.00000 Pa2 Pa 0.10243 0.55306 0.65549 1.00000 B1 B 0.33265 0.16630 0.49896 1.00000 B2 B 0.66735 0.83370 0.50104 1.00000 Br1 Br 0.55467 0.28145 0.83612 1.00000 Br2 Br 0.44533 0.71855 0.16388 1.00000