data_xcalibur
_cell_length_a                    5.9554
_cell_length_b                    9.037
_cell_length_c                    18.389
_cell_angle_alpha                 90.0
_cell_angle_beta                  90.0
_cell_angle_gamma                 90.0
_chemical_formula_sum             'C44 H40 O8 S4 '
