# CIF generated by HEAS from Alexandria entry agm005678086 data_agm005678086 _cell_length_a 3.53531 _cell_length_b 3.53531 _cell_length_c 12.85130 _cell_angle_alpha 90.12557 _cell_angle_beta 97.77968 _cell_angle_gamma 119.99790 _cell_volume 137.36709 _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 0.90412 0.45086 0.35499 1.00000 Pa2 Pa 0.09588 0.54914 0.64501 1.00000 B1 B 0.33306 0.16652 0.49958 1.00000 B2 B 0.66694 0.83348 0.50042 1.00000 I1 I 0.55374 0.27959 0.83333 1.00000 I2 I 0.44626 0.72041 0.16667 1.00000