This data block contains the cell lattice vectors in terms of the lattice vector magnitudes and the angles between them (a, b, c, α, β and γ). It has the following format:
%BLOCK LATTICE_ABC [units] Ra Rb Rc Rα Rβ Rγ %ENDBLOCK LATTICE_ABC
Where Ra is the value of a, Rγ is the value of γ, etc.
[units] specifies the units in which the lattice vector magnitudes are defined. If no units are given, the default of Å is used. Angles should be specified in degrees.
Only one of LATTICE_CART and LATTICE_ABC may be present in a single cell file.
%BLOCK LATTICE_ABC 8.9780000000 5.7400000000 9.9690000000 90.000000000 90.000000000 90.000000000 %ENDBLOCK LATTICE_ABC
CASTEP keyword glossary
CASTEP cell keywords and data blocks