# CIF generated by HEAS from Alexandria entry agm005449629 data_agm005449629 _cell_length_a 4.58891 _cell_length_b 4.58891 _cell_length_c 4.58891 _cell_angle_alpha 60.00000 _cell_angle_beta 60.00000 _cell_angle_gamma 60.00000 _cell_volume 68.33026 _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 C1 C 0.25000 0.25000 0.25000 1.00000 C2 C 0.58667 0.58667 0.58667 1.00000 C3 C 0.58667 0.58667 0.24000 1.00000 C4 C 0.24000 0.58667 0.58667 1.00000 C5 C 0.58667 0.24000 0.58667 1.00000 Br1 Br 0.00000 0.00000 0.00000 1.00000