data_Ce2BiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2BiO4
_chemical_formula_sum   'Ce4 Bi2 O8'
_cell_volume   274.38
_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  0.87  0.87  0.45  1.0
  Ce  Ce3  1  0.87  0.45  0.87  1.0
  Ce  Ce4  1  0.45  0.87  0.87  1.0
  Ce  Ce5  1  0.45  0.45  0.45  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.58  0.58  0.58  1.0
  O  O6  1  0.02  0.02  0.02  1.0
  O  O7  1  0.02  0.3  0.3  1.0
  O  O8  1  0.3  0.02  0.3  1.0
  O  O9  1  0.59  0.59  0.88  1.0
  O  O10  1  0.3  0.3  0.02  1.0
  O  O11  1  0.59  0.88  0.59  1.0
  O  O12  1  0.88  0.88  0.88  1.0
  O  O13  1  0.88  0.59  0.59  1.0

data_Ce2BiO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   17.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ce2BiO4
_chemical_formula_sum   'Ce12 Bi6 O24'
_cell_volume   823.14
_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  9  0.19  0.39  0.94  1.0
  Ce  Ce1  3  0.0  0.0  0.55  1.0
  Bi  Bi2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.42  1.0
  O  O4  9  0.09  0.19  0.31  1.0
  O  O5  9  0.19  0.09  0.8  1.0
  O  O6  3  0.0  0.0  0.12  1.0
  O  O7  3  0.0  0.0  0.98  1.0

Ce Ce Ce Ce Bi Bi O O O O O O O O
Ce Ce Ce Ce Bi Bi O O O O O O O O 0 13 o o o 0 11 o o o 1 9 o o o 1 13 o o o 2 9 o o o 2 11 o o o 3 5 o o o 4 6 o o o 4 12 - - - 5 13 o o o 5 11 o o o 5 9 o o o 6 12 - - - 7 8 o o o 7 10 o o o 8 10 o o o 9 13 o o o 9 11 o o o 11 13 o o o 
Ce2BiO4 crystallizes in the trigonal R3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 2-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. The Ce(1)-O(4) bond length is 3.22 Å. Both Ce(1)-O(2) bond lengths are 3.32 Å. Both Ce(1)-O(3) bond lengths are 1.71 Å. In the second Ce site, Ce(2) is bonded in a single-bond geometry to one Bi(2) and three equivalent O(2) atoms. The Ce(2)-Bi(2) bond length is 2.36 Å. All Ce(2)-O(2) bond lengths are 3.43 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. The Bi(1)-O(1) bond length is 0.28 Å. The Bi(1)-O(4) bond length is 2.18 Å. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one Ce(2) and three equivalent O(3) atoms. All Bi(2)-O(3) bond lengths are 2.30 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ce(2), two equivalent Ce(1), and two equivalent O(2) atoms. Both O(2)-O(2) bond lengths are 2.07 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ce(1) and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ce(1) and one Bi(1) atom.