data_CeAlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   120.18
_cell_angle_beta   120.18
_cell_angle_gamma   89.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeAlO3
_chemical_formula_sum   'Ce2 Al2 O6'
_cell_volume   111.08
_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  Ce2  1  0.69  0.0  0.91  1.0
  Ce  Ce3  1  0.0  0.69  0.91  1.0
  Al  Al0  1  0.0  0.0  0.83  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  O  O4  1  0.0  0.0  0.74  1.0
  O  O5  1  0.0  0.0  0.91  1.0
  O  O6  1  0.18  0.52  0.0  1.0
  O  O7  1  0.52  0.18  0.83  1.0
  O  O8  1  0.87  0.18  0.0  1.0
  O  O9  1  0.82  0.52  0.83  1.0

data_CeAlO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.4
_cell_angle_alpha   119.91
_cell_angle_beta   119.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeAlO3
_chemical_formula_sum   'Ce2 Al2 O6'
_cell_volume   111.08
_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  0.09  0.0  0.78  1.0
  Ce  Ce1  1  0.78  0.69  0.78  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.17  0.0  0.17  1.0
  O  O4  1  0.09  0.0  0.09  1.0
  O  O5  1  0.18  0.18  0.05  1.0
  O  O6  1  0.26  0.0  0.26  1.0
  O  O7  1  0.35  0.18  0.86  1.0
  O  O8  1  0.52  0.52  0.69  1.0
  O  O9  1  0.69  0.52  0.51  1.0

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