International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by S. R. Hall and B. McMahon © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. G. ch. 2.2, p. 32
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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.
(59) For a data block, there must be a data heading and zero or more data items or save frames.
(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.
(61) For a save frame, there must be a save-frame heading, some data items and then the reserved word save_.
(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.
(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.