data_CeU2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeU2O6
_chemical_formula_sum   'Ce1 U2 O6'
_cell_volume   120.59
_cell_formula_units_Z   1
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  0.0  1.0
  U  U1  1  0.0  0.22  0.26  1.0
  U  U2  1  0.93  0.11  0.13  1.0
  O  O3  1  0.0  0.0  0.47  1.0
  O  O4  1  0.0  0.22  0.5  1.0
  O  O5  1  0.93  0.11  0.46  1.0
  O  O6  1  0.93  0.11  0.89  1.0
  O  O7  1  0.0  0.0  0.93  1.0
  O  O8  1  0.0  0.22  0.93  1.0

data_CeU2O6
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeU2O6
_chemical_formula_sum   'Ce1 U2 O6'
_cell_volume   120.59
_cell_formula_units_Z   1
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  0.0  1.0
  U  U1  1  0.0  0.22  0.26  1.0
  U  U2  1  0.93  0.11  0.13  1.0
  O  O3  1  0.0  0.0  0.47  1.0
  O  O4  1  0.0  0.0  0.93  1.0
  O  O5  1  0.0  0.22  0.5  1.0
  O  O6  1  0.0  0.22  0.93  1.0
  O  O7  1  0.93  0.11  0.46  1.0
  O  O8  1  0.93  0.11  0.89  1.0

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