CIF (.cif)

Background & Context

Import["file.cif"] reads a CIF file and returns its contents as a nested Association.
Import["file.cif",elem] imports the specified element from a CIF file.
Import["file.cif",{{elem₁,elem₂,…}}] imports multiple elements.
The import format can be specified with Import["file","CIF"] or Import["file",{"CIF",elem,…}].
See the following reference pages for full general information:
Import import from a file

CloudImport import from a cloud object

ImportString import from a string

ImportByteArray import from a byte array

General Import elements:
"Elements" list of elements and options available in this file

"Summary" summary of the file

"Rules" list of rules for all available elements
Data representation elements:

	"Data"	numerical and textual data, given as a nested Association
	"Comments"	user comments as a list of strings
	"Molecule"	a symbolic representation of the molecule model

Import uses the "Data" element by default for the CIF format.
A "CIF" file consists of one or more named data blocks. The names of the data blocks are the keys of the imported Association.
Each data block contains named data items, which can be numbers, strings or lists thereof. Each block is represented in the Wolfram Language as an Association.
It is common for a "CIF" file to only have one data block.

Import a CIF file:

Import a molecule object from a CIF file:

Visualize the molecule in 3D:

Export data to a CIF string:

Import the data back to the Wolfram Language:

Top

	"Elements"	list of elements and options available in this file
	"Summary"	summary of the file
	"Rules"	list of rules for all available elements