data_CeZn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeZn2O4
_chemical_formula_sum   'Ce2 Zn4 O8'
_cell_volume   186.33
_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  0.27  0.27  0.27  1.0
  Zn  Zn10  1  0.4  0.4  0.67  1.0
  Zn  Zn11  1  0.4  0.67  0.4  1.0
  Zn  Zn12  1  0.67  0.67  0.67  1.0
  Zn  Zn13  1  0.67  0.4  0.4  1.0
  O  O2  1  0.56  0.56  0.56  1.0
  O  O3  1  0.56  0.5  0.5  1.0
  O  O4  1  0.5  0.56  0.5  1.0
  O  O5  1  0.83  0.83  0.77  1.0
  O  O6  1  0.5  0.5  0.56  1.0
  O  O7  1  0.83  0.77  0.83  1.0
  O  O8  1  0.77  0.77  0.77  1.0
  O  O9  1  0.77  0.83  0.83  1.0

data_CeZn2O4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   15.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CeZn2O4
_chemical_formula_sum   'Ce6 Zn12 O24'
_cell_volume   558.99
_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  0.73  1.0
  Zn  Zn2  9  0.09  0.18  0.51  1.0
  Zn  Zn3  3  0.0  0.0  0.33  1.0
  O  O4  9  0.02  0.04  0.48  1.0
  O  O5  9  0.04  0.02  0.19  1.0
  O  O6  3  0.0  0.0  0.23  1.0
  O  O7  3  0.0  0.0  0.44  1.0

Ce Ce Zn Zn Zn Zn O O O O O O O O
CeZn2O4 crystallizes in the trigonal R3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to three equivalent Zn(1), three equivalent Zn(2), and three equivalent O(3) atoms. All Ce(1)-Zn(1) bond lengths are 3.65 Å. All Ce(1)-Zn(2) bond lengths are 3.70 Å. All Ce(1)-O(3) bond lengths are 3.00 Å. In the second Ce site, Ce(2) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms. All Ce(2)-Zn(1) bond lengths are 3.23 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Ce(1), one Ce(2), and one O(2) atom. The Zn(1)-O(2) bond length is 0.95 Å. In the second Zn site, Zn(2) is bonded in a linear geometry to three equivalent Ce(1), one O(1), and one O(4) atom. The Zn(2)-O(1) bond length is 1.65 Å. The Zn(2)-O(4) bond length is 1.65 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Zn(2) and three equivalent O(2) atoms. All O(1)-O(2) bond lengths are 0.63 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zn(1), one O(1), and two equivalent O(2) atoms. Both O(2)-O(2) bond lengths are 0.36 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ce(1) and two equivalent O(3) atoms. Both O(3)-O(3) bond lengths are 0.36 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Zn(2) atom.