!BIOSYM archive 3
PBC=ON

!DATE     Jul 15 10:07:02 2019
PBC   2.72500   2.72500  50.00000  90.00000  90.00000  90.00000
Mg1       1.36250000     1.36250000     1.94500000 XXXX 1      xx      Mg  0.000
Mg2       1.36250000     1.36250000    48.05500000 XXXX 1      xx      Mg  0.000
Mg3       0.00000000     0.00000000     0.00000000 XXXX 1      xx      Mg  0.000
O4        0.00000000     0.00000000     1.99500000 XXXX 1      xx      O   0.000
O5        0.00000000     0.00000000    48.00500000 XXXX 1      xx      O   0.000
O6        1.36250000     1.36250000     0.00000000 XXXX 1      xx      O   0.000
end
end