14
ZrO_2 & P2_1/c-C_{2h}^5 #14 & Baddeleyite & mP12 & Wyckoff v I p 244           
Zr     1.24109120     0.21038300     1.09503076
Zr     0.81502581     2.39336700     3.71597561
O      0.06104748     1.78096500     1.80845195
O     -0.48711287     4.38471500     0.81249290
O     -0.36501791     0.82278500     4.42939680
O      1.91240476     3.94728500     2.51086517
O      1.48633937     3.86396500     5.13181002
Zr     3.47824341     2.81413300     1.52591409
O      4.65828713     4.38471500     0.81249290
O      4.78038209     0.82278500     4.42939680
O      2.80692985     1.34353500     0.11007968
Zr     3.05217802     4.99711700     4.14685894
O      4.23222174     3.42653500     3.43343775
O      2.38086446     1.26021500     2.73102453


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


Primitive vectors
a(1) =   5.14540000  0.00000000  0.00000000
a(2) =   0.00000000  5.20750000  0.00000000
a(3) =  -0.85213078  0.00000000  5.24188970


Volume = 140.45470731


Reciprocal vectors
b(1) =   0.19434835  0.00000000  0.03159361
b(2) =   0.00000000  0.19203072  0.00000000
b(3) =   0.00000000  0.00000000  0.19077090


Basis Vectors:
Atom    Lattice Coordinates                Cartesian Coordinates

Zr  0.27580000  0.04040000  0.20890000     1.24109120  0.21038300  1.09503076
Zr -0.27580000  0.54040000  0.29110000    -1.66715659  2.81413300  1.52591409
Zr -0.27580000 -0.04040000 -0.20890000    -1.24109120 -0.21038300 -1.09503076
Zr  0.27580000  0.45960000  0.70890000     0.81502581  2.39336700  3.71597561
O   0.06900000  0.34200000  0.34500000     0.06104748  1.78096500  1.80845195
O  -0.06900000  0.84200000  0.15500000    -0.48711287  4.38471500  0.81249290
O  -0.06900000 -0.34200000 -0.34500000    -0.06104748 -1.78096500 -1.80845195
O   0.06900000  0.15800000  0.84500000    -0.36501791  0.82278500  4.42939680
O   0.45100000  0.75800000  0.47900000     1.91240476  3.94728500  2.51086517
O  -0.45100000  0.25800000  0.02100000    -2.33847015  1.34353500  0.11007968
O  -0.45100000 -0.75800000 -0.47900000    -1.91240476 -3.94728500 -2.51086517
O   0.45100000 -0.25800000  0.97900000     1.48633937 -1.34353500  5.13181002