The Commissions on Crystallographic Data and on Crystallographic Computing of the International Union of Crystallography have approved a revised version (SCFS-84) of the Standard Crystallographic File Structure reported in Acta Cryst. (1983), A39, 216-224. The major change involves the definition of new sections describing the space group (SG NAME) and atomic coordinates (ATOMS) to supersede those in the earlier standard (SPACE GROUP and ATOM respectively). A new section (BONDS) is defined and other sections are extended to include a wider range of data. Copies of SCFS-84 may be obtained from the author or the Executive Secretary of the International Union of Crystallography.
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I. D. Brown (1985) studied this question.