audit.block_doi database_code.depnum_ccdc_archive database_code.depnum_ccdc_fiz database_code.ICSD database_code.MDF database_code.NBS database_code.CSD database_code.COD chemical.name_systematic chemical.name_common chemical.melting_point chemical_formula.moiety chemical_formula.sum chemical_formula.weight atom_type.symbol atom_type.description atom_type_scat.dispersion_real atom_type_scat.dispersion_imag atom_type_scat.source space_group.crystal_system space_group.name_H-M_full space_group.IT_number space_group_symop.operation_xyz cell.length_a cell.length_b cell.length_c cell.angle_alpha cell.angle_beta cell.angle_gamma cell.volume cell.formula_units_Z atom_site.label atom_site.type_symbol atom_site.fract_x atom_site.fract_y atom_site.fract_z atom_site.U_iso_or_equiv atom_site.adp_type atom_site.occupancy atom_site.calc_flag atom_site.refinement_flags atom_site.disorder_assembly atom_site.disorder_group atom_site.site_symmetry_multiplicity atom_site_aniso.label atom_site_aniso.U atom_site_aniso.U_11 atom_site_aniso.U_22 atom_site_aniso.U_33 atom_site_aniso.U_23 atom_site_aniso.U_13 atom_site_aniso.U_12 atom_site_aniso.U_su atom_site_aniso.U_11_su atom_site_aniso.U_22_su atom_site_aniso.U_33_su atom_site_aniso.U_23_su atom_site_aniso.U_13_su atom_site_aniso.U_12_su geom_bond.atom_site_label_1 geom_bond.atom_site_label_2 geom_bond.distance geom_bond.site_symmetry_1 geom_bond.site_symmetry_2 geom_bond.publ_flag geom_bond.valence