data_Ce
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   9.03
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce
_chemical_formula_sum   Ce20
_cell_volume   736.79
_cell_formula_units_Z   20
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  0.9  0.38  0.4  1.0
  Ce  Ce1  1  0.57  0.57  0.57  1.0
  Ce  Ce2  1  0.86  0.12  0.13  1.0
  Ce  Ce3  1  0.34  0.83  0.69  1.0
  Ce  Ce4  1  0.12  0.13  0.86  1.0
  Ce  Ce5  1  0.91  0.64  0.66  1.0
  Ce  Ce6  1  0.69  0.34  0.83  1.0
  Ce  Ce7  1  0.17  0.63  0.39  1.0
  Ce  Ce8  1  0.46  0.09  0.95  1.0
  Ce  Ce9  1  0.13  0.86  0.12  1.0
  Ce  Ce10  1  0.64  0.66  0.91  1.0
  Ce  Ce11  1  0.95  0.46  0.09  1.0
  Ce  Ce12  1  0.66  0.91  0.64  1.0
  Ce  Ce13  1  0.2  0.2  0.2  1.0
  Ce  Ce14  1  0.4  0.9  0.38  1.0
  Ce  Ce15  1  0.63  0.39  0.17  1.0
  Ce  Ce16  1  0.83  0.69  0.34  1.0
  Ce  Ce17  1  0.38  0.4  0.9  1.0
  Ce  Ce18  1  0.09  0.95  0.46  1.0
  Ce  Ce19  1  0.39  0.17  0.63  1.0

data_Ce
_symmetry_space_group_name_H-M   R3
_cell_length_a   12.77
_cell_length_b   12.77
_cell_length_c   15.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ce
_chemical_formula_sum   Ce60
_cell_volume   2210.36
_cell_formula_units_Z   60
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  0.01  0.49  0.89  1.0
  Ce  Ce1  9  0.06  0.6  0.29  1.0
  Ce  Ce2  9  0.08  0.18  0.04  1.0
  Ce  Ce3  9  0.11  0.68  0.06  1.0
  Ce  Ce4  9  0.11  0.74  0.83  1.0
  Ce  Ce5  9  0.18  0.08  0.74  1.0
  Ce  Ce6  3  0.0  0.0  0.2  1.0
  Ce  Ce7  3  0.0  0.0  0.57  1.0

Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce Ce
Ce is beta structured and crystallizes in the trigonal R3 space group. There are nine inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to one Ce(2), one Ce(3), one Ce(5), one Ce(8), two equivalent Ce(4), two equivalent Ce(6), and two equivalent Ce(7) atoms. The Ce(1)-Ce(2) bond length is 3.81 Å. The Ce(1)-Ce(3) bond length is 3.39 Å. The Ce(1)-Ce(5) bond length is 3.37 Å. The Ce(1)-Ce(8) bond length is 3.59 Å. There is one shorter (2.94 Å) and one longer (4.35 Å) Ce(1)-Ce(4) bond length. There is one shorter (3.18 Å) and one longer (3.37 Å) Ce(1)-Ce(6) bond length. There is one shorter (2.95 Å) and one longer (4.26 Å) Ce(1)-Ce(7) bond length. In the second Ce site, Ce(2) is bonded in a 12-coordinate geometry to three equivalent Ce(1); three Ce(4,4); three equivalent Ce(5); and three equivalent Ce(6) atoms. All Ce(2)-Ce(4,4) bond lengths are 3.27 Å. All Ce(2)-Ce(5) bond lengths are 3.28 Å. All Ce(2)-Ce(6) bond lengths are 3.99 Å. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to one Ce(1); one Ce(6); one Ce(8); two equivalent Ce(3); two Ce(4,4); and three equivalent Ce(7) atoms. The Ce(3)-Ce(6) bond length is 3.20 Å. The Ce(3)-Ce(8) bond length is 3.28 Å. Both Ce(3)-Ce(3) bond lengths are 3.37 Å. There is one shorter (3.74 Å) and one longer (4.35 Å) Ce(3)-Ce(4,4) bond length. There are a spread of Ce(3)-Ce(7) bond distances ranging from 3.23-3.96 Å. In the fourth Ce site, Ce(4) is bonded in a 12-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Ce(3), two equivalent Ce(6), two equivalent Ce(7), and three equivalent Ce(5) atoms. There is one shorter (2.94 Å) and one longer (4.35 Å) Ce(4)-Ce(1) bond length. There is one shorter (3.17 Å) and one longer (3.59 Å) Ce(4)-Ce(6) bond length. There is one shorter (3.27 Å) and one longer (3.46 Å) Ce(4)-Ce(7) bond length. There are a spread of Ce(4)-Ce(5) bond distances ranging from 2.95-4.23 Å. In the fifth Ce site, Ce(5) is bonded in a 10-coordinate geometry to one Ce(1); one Ce(2); one Ce(6); two equivalent Ce(5); two equivalent Ce(7); and three Ce(4,4) atoms. The Ce(5)-Ce(6) bond length is 3.37 Å. Both Ce(5)-Ce(5) bond lengths are 3.37 Å. There is one shorter (3.59 Å) and one longer (4.23 Å) Ce(5)-Ce(7) bond length. There is one shorter (2.95 Å) and one longer (3.74 Å) Ce(5)-Ce(4) bond length. In the sixth Ce site, Ce(4) is bonded in a 12-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Ce(3), two equivalent Ce(6), two equivalent Ce(7), and three equivalent Ce(5) atoms. There is one shorter (3.17 Å) and one longer (3.59 Å) Ce(4)-Ce(6) bond length. There is one shorter (3.27 Å) and one longer (3.46 Å) Ce(4)-Ce(7) bond length. In the seventh Ce site, Ce(6) is bonded in a 10-coordinate geometry to one Ce(2); one Ce(3); one Ce(5); one Ce(8); two equivalent Ce(1); two Ce(4,4); and two equivalent Ce(7) atoms. The Ce(6)-Ce(8) bond length is 4.23 Å. There is one shorter (3.01 Å) and one longer (3.74 Å) Ce(6)-Ce(7) bond length. In the eighth Ce site, Ce(7) is bonded in a 12-coordinate geometry to one Ce(8), two equivalent Ce(1), two equivalent Ce(4), two equivalent Ce(5), two equivalent Ce(6), and three equivalent Ce(3) atoms. The Ce(7)-Ce(8) bond length is 3.46 Å. In the ninth Ce site, Ce(8) is bonded in a 12-coordinate geometry to three equivalent Ce(1), three equivalent Ce(3), three equivalent Ce(6), and three equivalent Ce(7) atoms.