# CIF generated by HEAS from Alexandria entry agm002016371 data_agm002016371 _cell_length_a 4.14634 _cell_length_b 4.21106 _cell_length_c 4.14825 _cell_angle_alpha 117.37731 _cell_angle_beta 67.66204 _cell_angle_gamma 81.47421 _cell_volume 54.69752 _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 0.98065 0.93498 0.83137 1.00000 O1 O 0.77092 0.14801 0.83510 1.00000