International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G, ch. 2.2, p. 32

Section 2.2.7.3.1. CIF grammar

S. R. Hall,a* N. Spadaccini,c I. D. Brown,d H. J. Bernstein,e J. D. Westbrookb and B. McMahonf

2.2.7.3.1. CIF grammar

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(58) A CIF may be an empty file, or it may contain only comments or white space, or it may contain one or more data blocks. Comments before the first block are acceptable, and there must be white space between blocks. [Scheme scheme24]

(59) For a data block, there must be a data heading and zero or more data items or save frames. [Scheme scheme25]

(60) A data-block heading consists of the five characters data_ (case-insensitive) immediately followed by at least one non-blank character selected from the set of ordinary characters or the non-quote-mark, non-blank printable characters. [Scheme scheme26]

(61) For a save frame, there must be a save-frame heading, some data items and then the reserved word save_. [Scheme scheme27]

(62) A save-frame heading consists of the five characters save_ (case-insensitive) immediately followed by at least one non-blank character selected from the set of ordinary characters or the non-quote-mark, non-blank printable characters. [Scheme scheme28]

(63) Data come in two forms:

(i) A data-name tag separated from its associated value by a <WhiteSpace>.

(ii) Looped data. The number of values in the body must be a multiple of the number of tags in the header. [Scheme scheme29]








































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