{ BiF3  }

Make cube dimensions 5.12 A.
Make atoms full scale.
Place Bi3+ atoms at the corners of the cube.
Place Bi3+ atoms on the faces of the cube.
Place an F- atom at the center of the cube.
Place F- atoms on the edges of the cube.
Place F- atoms at (0.25,0.25,0.25), (0.25,0.25,0.75).
Place F- atoms at (0.25,0.75,0.25), (0.25,0.25,0.75).
Place F- atoms at (0.75,0.25,0.25), (0.25,0.25,0.75).
Place F- atoms at (0.75,0.75,0.25), (0.25,0.25,0.75).