data_CeNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   54.98
_cell_angle_beta   54.98
_cell_angle_gamma   54.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeNiO3
_chemical_formula_sum   'Ce2 Ni2 O6'
_cell_volume   131.13
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.0  0.0  0.42  1.0
  Ce  Ce1  1  0.0  0.0  0.67  1.0
  Ni  Ni2  1  0.0  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.4  1.0
  O  O4  1  0.98  0.06  0.69  1.0
  O  O5  1  0.83  0.86  0.69  1.0
  O  O6  1  0.19  0.09  0.69  1.0
  O  O7  1  0.81  0.91  0.39  1.0
  O  O8  1  0.17  0.14  0.39  1.0
  O  O9  1  0.02  0.94  0.39  1.0

data_CeNiO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.94
_cell_angle_alpha   62.51
_cell_angle_beta   62.51
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeNiO3
_chemical_formula_sum   'Ce2 Ni2 O6'
_cell_volume   131.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ce  Ce0  2  0.0  0.13  0.37  1.0
  Ni  Ni1  2  0.0  0.14  0.36  1.0
  O  O2  2  0.06  0.15  0.32  1.0
  O  O3  2  0.09  0.15  0.07  1.0
  O  O4  2  0.14  0.85  0.33  1.0

Ce Ce Ni Ni O O O O O O
Ce Ce Ni Ni O O O O O O 0 3 o o o 0 5 - - o 0 7 - - o 0 8 o o o 0 9 o - o 1 2 o o o 1 4 - o o 1 5 - - o 1 6 o o o 1 8 o o o 2 4 - o o 2 5 - - o 2 6 o o o 2 8 o o o 3 5 - - o 3 7 - - o 3 8 o o o 3 9 o - o 4 6 + o o 4 8 + o o 5 7 o o o 5 9 + o o 6 8 o o o 7 9 + o o 