!Indata FDMNES
! Diffraction magnetique

 Filout 
  Sim/Test_stand/CoCO3

 Radius
  3.0

 Convolution

 Range
  -15 0.1  5. 1. 20.

 Green
 Eimag
  0.2

 Quadrupole
 Magnetism
 Spinorbite

 Zero_azim
  1 0 0

 Ang_spin
  0 90 0


 Rxs
 0 0 9  1 2 30

 Spgroup
  R-3:H

 Atom
  27   2   3  2  2. 5.   4  0  1. 1. ! high-spin state
   6   2   2  0  1. 1.   2  1  1. 1.
   8   2   2  0  1. 1.   2  1  2. 2.

 Crystal
! Pertlik, Acta Cryst C 39 42
 4.6618 4.6618 14.963 90 90 120   !/ a, b, c, alfa, beta, gamma
  1   0        0       0       ! Co2+ 6b
 -1   0        0       0.5     ! Co2+ 6b
  2   0        0       0.25    ! C4+  6a
  2   0        0       0.75    ! C4+  6a
  3   0.2766   0       0.25    ! O2-  18e
  3   0.7234   0       0.75    ! O2-  18e

 End
