program test use FoX_wcml implicit none character(len=*), parameter :: filename = 'test.xml' type(xmlf_t) :: xf real, dimension(3,3) :: ucell ucell = reshape((/ 1.0, 0.5, 0.5, & 0.0, 1.0, 0.0, & 0.0, 0.0, 1.0/), & (/3,3/)) call cmlBeginFile(xf, filename, unit=-1) call cmlStartCml(xf) call cmlAddLattice(xf, cell=ucell, fmt="s3") call cmlFinishFile(xf) end program test