data_CeEr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeEr2O4
_chemical_formula_sum   'Ce2 Er4 O8'
_cell_volume   226.86
_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  0.0  1.0
  Ce  Ce1  1  0.42  0.42  0.42  1.0
  Er  Er2  1  0.63  0.63  0.05  1.0
  Er  Er3  1  0.05  0.05  0.05  1.0
  Er  Er4  1  0.05  0.63  0.63  1.0
  Er  Er5  1  0.63  0.05  0.63  1.0
  O  O6  1  0.77  0.91  0.91  1.0
  O  O7  1  0.77  0.77  0.77  1.0
  O  O8  1  0.91  0.77  0.91  1.0
  O  O9  1  0.19  0.19  0.33  1.0
  O  O10  1  0.91  0.91  0.77  1.0
  O  O11  1  0.19  0.33  0.19  1.0
  O  O12  1  0.33  0.33  0.33  1.0
  O  O13  1  0.33  0.19  0.19  1.0

data_CeEr2O4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   16.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CeEr2O4
_chemical_formula_sum   'Ce6 Er12 O24'
_cell_volume   680.57
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Ce  Ce1  3  0.0  0.0  0.58  1.0
  Er  Er2  9  0.05  0.53  0.9  1.0
  Er  Er3  3  0.0  0.0  0.95  1.0
  O  O4  9  0.05  0.09  0.76  1.0
  O  O5  9  0.09  0.05  0.14  1.0
  O  O6  3  0.0  0.0  0.23  1.0
  O  O7  3  0.0  0.0  0.67  1.0

Ce Ce Er Er Er Er O O O O O O O O
Ce Ce Er Er Er Er O O O O O O O O 0 3 o o o 1 12 o o o 2 7 o o - 4 7 - o o 5 7 o - o 6 8 o o o 6 10 o o o 6 7 o o o 7 10 o o o 7 8 o o o 8 10 o o o 9 13 o o o 9 11 o o o 9 12 o o o 11 13 o o o 11 12 o o o 12 13 o o o 