1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67
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# misc examples for testing the parser
data_Strings
_noq str
_singleq 'str'
_doubleq "str"
_in_next_line # comment
str
_with_hash s#t#r#
_semicolonq
;str
;
_na .
_who_knows ?
data_numbers
_int 5
_real 3.14
_neg -3.14
_pos +3.140
_negz -003.1
_posz +03.140
_sci 2.1e12
_dotfirst .75
_dotfirstsci .7e+3
_dotlast 85.
_dote 3.e08
_with_su 123.456(12)
_not_valid_numb 1-0
# these are valid CIF numbers, but probably were meant as strings
_zeros 00000000000
_zdote 03.E-08
data_loops
loop_
_x _y _z
1 0 1
4.1 3.2 2.0
loop_
_single_tag
tomato
;carrot
;
"ginger"
data_frames
save_fr
_a 1
loop_
_b 2 3 4
_c
;five
;
save_
save_anoTHer
_A 1
_x 2
save_
_and item
# this string is from PDB 5Q1H and contains non-ascii character 0xa0 (nbsp)
_exptl_crystal_grow.pdbx_details '0.1 M BIS-TRISĀ 5.5 pH 5.5, 25%PEG3350'
# from a bug report:
_cell_special_details
;
;
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