data_whoops_a_daisy _audit_creation_method 'using CIFtbx' #< not in dictionary _audit_creation_extra1 using_CIFtbx #< not in dictionary _audit_creation_extra2 'Terry O'Connell' #< not in dictionary _audit_creation_extra3 'Terry O"Connell' #< not in dictionary _audit_creation_record #< not in dictionary ;Text data may be entered like this or in a loop. ; _cell_measurement_temperature 293 #< not in dictionary _cell_volume 1759(13) #< not in dictionary _cell_length_junk 8.75354 #< not in dictionary _cell_length_c 19.737(3) #< not in dictionary loop_ _atom_type.symbol _atom_type.oxidation_number _atom_type.number_in_cell a 1.00(10) 8.64523 ab 2.0(2) 17.2905 abc 3.0(3) 25.9357 abcd 4.0(4) 34.5809 abcde 5.0(5) 43.2262 abcdef 6.0(6) 51.8714 abcdefg 7.0(7) 60.5166 abcdefgh 8.0(8) 69.1618 abcdefghi 9.0(9) 77.8071 abcdefghij 10.0(10) 86.4523 loop_ _atom_type_symbol #< not in dictionary _atom_type_oxidation_number #< not in dictionary _some_silly_text #< not in dictionary a 1.00(10) ;Hi Ho the diddly oh! ; ab 2.0(2) ;Hi Ho the diddly oh! ; abc 3.0(3) ;Hi Ho the diddly oh! ; # Loops with various numeric and esd formats loop_ _various_numeric_data #< not in dictionary # esdlim_ = 19, pdecp_ = .false., plzero_ = .false. -.0(10) -0(10) -0E1(10) 0E1(10) # esdlim_ = 19, pdecp_ = .true., plzero_ = .false. -.0(10) -0.(10) -0.E1(10) 0.E1(10) # esdlim_ = -9999, pdecp_ = .true., plzero_ = .true. -0.01(100) -0.1(100) -1.(100) 1.(100) _folded_text #< not in dictionary ;\ 1234567890 1234567890 \ 1234567890 1234567890 \ 1234567890 1234567890 1234567890 \ 1234567890 1234567890 \ 1234567890\\ \23456789012345678901234\ 567890123456789012345678\ 90 123456789012345678901234\ 567890123456789012345678\ 90\\ ; _bracket_test #< not in dictionary { 'first element','second element' }