avec
    9.8265759126583898    0.0000000000000000    0.0000000000000000
    1.3228082959347831   10.7714389811832341    0.0000000000000000
    0.3779452274099381    0.7558904548198762   11.5273294360031109
atoms
 2
 'Na.in'
 1
  0.0800000000000000  0.1700000000000000  0.2900000000000000
 'Cl.in'
 1
  0.5900000000000000  0.6300000000000000  0.7400000000000000