# CIF generated by HEAS from Alexandria entry agm005653702 data_agm005653702 _cell_length_a 4.25189 _cell_length_b 5.58717 _cell_length_c 5.15749 _cell_angle_alpha 89.09635 _cell_angle_beta 114.34396 _cell_angle_gamma 89.99968 _cell_volume 111.61098 _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 H1 H 0.14147 0.97236 0.28294 1.00000 H2 H 0.60252 0.46675 0.20505 1.00000 Br1 Br 0.23989 0.77199 0.47977 1.00000 Cl1 Cl 0.51612 0.28890 0.03224 1.00000