data_CeCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   54.99
_cell_angle_beta   54.99
_cell_angle_gamma   54.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCrO3
_chemical_formula_sum   'Ce2 Cr2 O6'
_cell_volume   133.23
_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  0.49  1.0
  Ce  Ce1  1  0.0  0.0  0.67  1.0
  Cr  Cr2  1  0.0  0.0  0.74  1.0
  Cr  Cr3  1  0.0  0.0  0.42  1.0
  O  O4  1  0.99  0.08  0.72  1.0
  O  O5  1  0.17  0.09  0.72  1.0
  O  O6  1  0.84  0.83  0.72  1.0
  O  O7  1  0.16  0.17  0.44  1.0
  O  O8  1  0.83  0.91  0.44  1.0
  O  O9  1  0.01  0.92  0.44  1.0

data_CeCrO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.97
_cell_angle_alpha   62.5
_cell_angle_beta   62.5
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeCrO3
_chemical_formula_sum   'Ce2 Cr2 O6'
_cell_volume   133.23
_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  0.09  0.41  1.0
  Cr  Cr1  2  0.0  0.16  0.34  1.0
  O  O2  2  0.08  0.14  0.29  1.0
  O  O3  2  0.09  0.14  0.1  1.0
  O  O4  2  0.17  0.86  0.32  1.0

Ce Ce Cr Cr O O O O O O