NdNiO3
1.0
        5.3871197701         0.0000000000         0.0000000000
        0.0000000000         5.3826699257         0.0000000000
        0.0000000000         0.0000000000         7.6093997955
   Nd   Ni    O
    4    4   12
Direct
     0.995800018         0.035000000         0.250000000
     0.004199982         0.964999974         0.750000000
     0.495800018         0.465000004         0.750000000
     0.504199982         0.535000026         0.250000000
     0.500000000         0.000000000         0.000000000
     0.000000000         0.500000000         0.000000000
     0.500000000         0.000000000         0.500000000
     0.000000000         0.500000000         0.500000000
     0.069300003         0.489699990         0.250000000
     0.930700004         0.510300040         0.750000000
     0.569299996         0.010300010         0.750000000
     0.430700004         0.989699960         0.250000000
     0.716600001         0.287099987         0.039500002
     0.283399999         0.712900043         0.960500002
     0.216600001         0.212900013         0.960500002
     0.783399999         0.787099957         0.039500002
     0.283399999         0.712900043         0.539499998
     0.716600001         0.287099987         0.460500002
     0.783399999         0.787099957         0.460500002
     0.216600001         0.212900013         0.539499998