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#include <gemmi/unitcell.hpp>
// UnitCell has:
// * directly set properties a, b, c, alpha, beta, gamma,
// * calculated properties such as ar (a*), br (b*), ..., volume,
// * fractionalization and orthogonalization matrices,
// * a list of images (symmetry or NCS mates) that is set externally
// when reading a file.
// * and a few functions such as orthogonalize(), fractionalize(),
// is_special_position(), find_nearest_image().
gemmi::UnitCell cell(25.14, 39.50, 45.07, 90, 90, 90);
gemmi::Position p = cell.orthogonalize(gemmi::Fractional(0.5, 0.5, 0.5));
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