data_CeCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   8.8
_cell_angle_alpha   32.29
_cell_angle_beta   32.29
_cell_angle_gamma   32.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCo3
_chemical_formula_sum   'Ce3 Co9'
_cell_volume   172.85
_cell_formula_units_Z   3
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  0.03  1.0
  Ce  Ce1  1  0.0  0.0  0.97  1.0
  Ce  Ce2  1  0.0  0.0  0.5  1.0
  Co  Co3  1  0.0  0.0  0.8  1.0
  Co  Co4  1  0.0  0.42  0.82  1.0
  Co  Co5  1  0.0  0.58  0.18  1.0
  Co  Co6  1  0.0  0.0  0.2  1.0
  Co  Co7  1  0.77  0.71  0.18  1.0
  Co  Co8  1  0.77  0.29  0.82  1.0
  Co  Co9  1  0.23  0.29  0.82  1.0
  Co  Co10  1  0.0  0.0  0.0  1.0
  Co  Co11  1  0.23  0.71  0.18  1.0

data_CeCo3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   8.8
_cell_angle_alpha   73.85
_cell_angle_beta   73.85
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeCo3
_chemical_formula_sum   'Ce3 Co9'
_cell_volume   172.85
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.03  0.97  1.0
  Ce  Ce1  1  0.0  0.5  0.5  1.0
  Co  Co2  2  0.0  0.2  0.8  1.0
  Co  Co3  2  0.29  0.82  0.13  1.0
  Co  Co4  2  0.29  0.82  0.66  1.0
  Co  Co5  2  0.42  0.82  0.76  1.0
  Co  Co6  1  0.0  0.0  0.0  1.0

Ce Ce Ce Co Co Co Co Co Co Co Co Co
CeCo3 crystallizes in the triclinic P1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a single-bond geometry to one Co(4), one Co(8), and one Co(9) atom. The Ce(1)-Co(4) bond length is 1.55 Å. The Ce(1)-Co(8) bond length is 0.23 Å. The Ce(1)-Co(9) bond length is 1.60 Å. In the second Ce site, Ce(2) is bonded in a single-bond geometry to one Co(1), one Co(6), and one Co(8) atom. The Ce(2)-Co(1) bond length is 1.55 Å. The Ce(2)-Co(6) bond length is 1.60 Å. The Ce(2)-Co(8) bond length is 0.25 Å. In the third Ce site, Ce(3) is bonded in a 10-coordinate geometry to one Co(1); one Co(4); two equivalent Co(2,3); and six equivalent Co(5,7) atoms. The Ce(3)-Co(1) bond length is 2.61 Å. The Ce(3)-Co(4) bond length is 2.61 Å. Both Ce(3)-Co(2,3) bond lengths are 3.09 Å. There are a spread of Ce(3)-Co(5,7) bond distances ranging from 2.98-3.31 Å. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one Ce(2), one Ce(3), and one Co(6) atom. The Co(1)-Co(6) bond length is 1.43 Å. In the second Co site, Co(2,3) is bonded in a 1-coordinate geometry to one Ce(3) and one Co(5,7) atom. The Co(2,3)-Co(5,7) bond length is 1.22 Å. In the third Co site, Co(4) is bonded in a 1-coordinate geometry to one Ce(1), one Ce(3), and one Co(9) atom. The Co(4)-Co(9) bond length is 1.43 Å. In the fourth Co site, Co(5,7) is bonded in a distorted single-bond geometry to three equivalent Ce(3) and one Co(2,3) atom. In the fifth Co site, Co(6) is bonded in a 2-coordinate geometry to one Ce(2) and one Co(1) atom. In the sixth Co site, Co(8) is bonded in a linear geometry to one Ce(1) and one Ce(2) atom. In the seventh Co site, Co(9) is bonded in a 2-coordinate geometry to one Ce(1) and one Co(4) atom.