data_CeCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   55.62
_cell_angle_beta   55.62
_cell_angle_gamma   55.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCuO3
_chemical_formula_sum   'Ce2 Cu2 O6'
_cell_volume   129.95
_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  0.85  1.0
  Ce  Ce1  1  0.0  0.0  0.05  1.0
  Cu  Cu2  1  0.0  0.0  0.08  1.0
  Cu  Cu3  1  0.0  0.0  0.82  1.0
  O  O4  1  0.46  0.67  0.11  1.0
  O  O5  1  0.83  0.7  0.11  1.0
  O  O6  1  0.71  0.64  0.11  1.0
  O  O7  1  0.29  0.36  0.78  1.0
  O  O8  1  0.17  0.3  0.78  1.0
  O  O9  1  0.54  0.33  0.78  1.0

data_CeCuO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.89
_cell_angle_alpha   62.19
_cell_angle_beta   62.19
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeCuO3
_chemical_formula_sum   'Ce2 Cu2 O6'
_cell_volume   129.95
_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  0.1  0.4  1.0
  Cu  Cu1  2  0.0  0.13  0.37  1.0
  O  O2  2  0.3  0.83  0.19  1.0
  O  O3  2  0.33  0.83  0.79  1.0
  O  O4  2  0.36  0.83  0.02  1.0

Ce Ce Cu Cu O O O O O O