data_Ce
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce
_chemical_formula_sum   Ce4
_cell_volume   115.5
_cell_formula_units_Z   4
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  0.89  1.0
  Ce  Ce1  1  0.0  0.0  0.3  1.0
  Ce  Ce2  1  0.54  0.46  0.89  1.0
  Ce  Ce3  1  0.0  0.93  0.3  1.0

data_Ce
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce
_chemical_formula_sum   Ce4
_cell_volume   115.5
_cell_formula_units_Z   4
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  0.3  1.0
  Ce  Ce1  1  0.0  0.0  0.89  1.0
  Ce  Ce2  1  0.0  0.93  0.3  1.0
  Ce  Ce3  1  0.54  0.46  0.89  1.0

Ce Ce Ce Ce
Ce Ce Ce Ce 0 2 - - o 0 2 o o o 0 3 o - + 0 1 o o + 1 3 o - o 
Ce crystallizes in the triclinic P1 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to two equivalent Ce(2), two equivalent Ce(4), and three equivalent Ce(3) atoms. There is one shorter (2.11 Å) and one longer (3.07 Å) Ce(1)-Ce(2) bond length. There is one shorter (2.14 Å) and one longer (3.09 Å) Ce(1)-Ce(4) bond length. There are two shorter (2.56 Å) and one longer (4.08 Å) Ce(1)-Ce(3) bond length. In the second Ce site, Ce(2) is bonded in a single-bond geometry to one Ce(4) and two equivalent Ce(1) atoms. The Ce(2)-Ce(4) bond length is 0.36 Å. In the third Ce site, Ce(3) is bonded in a 2-coordinate geometry to three equivalent Ce(1) atoms. In the fourth Ce site, Ce(4) is bonded in a single-bond geometry to one Ce(2) and two equivalent Ce(1) atoms.