# CIF generated by HEAS from Alexandria entry agm002016368 data_agm002016368 _cell_length_a 4.35518 _cell_length_b 5.38246 _cell_length_c 3.82971 _cell_angle_alpha 45.50123 _cell_angle_beta 89.04478 _cell_angle_gamma 127.31782 _cell_volume 31.96531 _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 0.95410 0.07326 0.83839 1.00000 O1 O 0.46394 0.42778 0.32705 1.00000