# generated using pymatgen
data_NdNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38376377
_cell_length_b   5.38857796
_cell_length_c   7.60451100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNiO3
_chemical_formula_sum   'Nd4 Ni4 O12'
_cell_volume   220.61318188
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nd  Nd0  1  0.00816993  0.95967358  0.75000000  1.0
  Nd  Nd1  1  0.49183007  0.45967358  0.75000000  1.0
  Nd  Nd2  1  0.50816993  0.54032642  0.25000000  1.0
  Nd  Nd3  1  0.99183007  0.04032642  0.25000000  1.0
  Ni  Ni4  1  0.50000000  -0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  -0.00000000  1.0
  Ni  Ni6  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  0.50000000  -0.00000000  -0.00000000  1.0
  O  O8  1  0.71661312  0.28448914  0.46120757  1.0
  O  O9  1  0.78338688  0.78448914  0.03879243  1.0
  O  O10  1  0.21661312  0.21551086  0.53879243  1.0
  O  O11  1  0.28338688  0.71551086  0.96120757  1.0
  O  O12  1  0.28338688  0.71551086  0.53879243  1.0
  O  O13  1  0.21661312  0.21551086  0.96120757  1.0
  O  O14  1  0.78338688  0.78448914  0.46120757  1.0
  O  O15  1  0.71661312  0.28448914  0.03879243  1.0
  O  O16  1  0.07185465  0.49157846  0.25000000  1.0
  O  O17  1  0.42814535  0.99157846  0.25000000  1.0
  O  O18  1  0.57185465  0.00842154  0.75000000  1.0
  O  O19  1  0.92814535  0.50842154  0.75000000  1.0