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# cctbx - Structure factor calculation

Unit cell parameters:

Space group symbol:
Convention:

Minimum d-spacing:

Minimum distance between symmetrically equivalent sites:
Atoms that have symmetrically equivalent sites within the given radius will
be moved to the exact site of the nearest special position.

Structure factor algorithm:

Coordinates:

Fractional
Cartesian

Format: Label [ScatFact] x y z [Occ [Biso]]
Examples:
`Si 0.123 0.456 0.789 1.0 3.0`
`Si Si4+ 0.123 0.456 0.789 1.0 3.0`

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