22
CaF_2 & Fm(-3)m-O_h^5 #225 & Fluorite & cF12 & C1 & Wyckoff v. I pp. 239-242   
F      4.09721250     1.36573750     1.36573750
Ca     5.46295000     0.00000000     0.00000000
F      1.36573750     4.09721250     1.36573750
F      1.36573750     1.36573750     4.09721250
Ca     0.00000000     0.00000000     0.00000000
F      1.36573750     1.36573750     1.36573750
F      4.09721250     4.09721250     4.09721250
Ca     2.73147500     2.73147500     0.00000000
F      4.09721250     4.09721250     1.36573750
Ca     5.46295000     5.46295000     0.00000000
Ca     2.73147500     0.00000000     2.73147500
F      4.09721250     1.36573750     4.09721250
Ca     5.46295000     2.73147500     2.73147500
Ca     5.46295000     0.00000000     5.46295000
Ca     0.00000000     5.46295000     0.00000000
Ca     0.00000000     2.73147500     2.73147500
F      1.36573750     4.09721250     4.09721250
Ca     2.73147500     5.46295000     2.73147500
Ca     0.00000000     0.00000000     5.46295000
Ca     2.73147500     2.73147500     5.46295000
Ca     5.46295000     5.46295000     5.46295000
Ca     0.00000000     5.46295000     5.46295000


****************************************


Primitive vectors
a(1) =   0.00000000  2.73147500  2.73147500
a(2) =   2.73147500  0.00000000  2.73147500
a(3) =   2.73147500  2.73147500  0.00000000


Volume =  40.75882781


Reciprocal vectors
b(1) =  -0.18305128  0.18305128  0.18305128
b(2) =   0.18305128 -0.18305128  0.18305128
b(3) =   0.18305128  0.18305128 -0.18305128


Basis Vectors:
Atom    Lattice Coordinates                Cartesian Coordinates

Ca  0.00000000  0.00000000  0.00000000     0.00000000  0.00000000  0.00000000
F   0.25000000  0.25000000  0.25000000     1.36573750  1.36573750  1.36573750
F   0.75000000  0.75000000  0.75000000     4.09721250  4.09721250  4.09721250