File: Orthorhombic_Simple

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# Simple Orthorhombic lattice (X=b/a, Y=c/a)
  1.0  0.0       0
  0.0  XX        0
  0.0  0.0       YY
# With respect to basis vectors
1   0.00000  0.00000   0.50000    Z
50  0.00000  0.00000   0.00000    G
50  0.500000 0.00000   0.00000    X
50  0.500000 0.50000   0.00000    S
50  0.000000 0.50000   0.00000    Y
50  0.000000 0.00000   0.00000    G
50  0.500000 0.50000   0.50000    R