The material structure described by CeCoSb3 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to one Co(1), one Co(2), one Sb(10), one Sb(11), one Sb(3), one Sb(4), one Sb(5), one Sb(8), one Sb(9), and two equivalent Sb(2) atoms. In the second Ce site, Ce(2) is bonded in a 11-coordinate geometry to one Co(1), one Co(3), one Sb(10), one Sb(11), one Sb(2), one Sb(5), one Sb(6), one Sb(7), one Sb(8), and two equivalent Sb(4) atoms. In the third Ce site, Ce(3) is bonded in a 9-coordinate geometry to one Sb(10), one Sb(11), one Sb(12), one Sb(2), one Sb(5), one Sb(6), one Sb(8), and two equivalent Sb(9) atoms. In the fourth Ce site, Ce(4) is bonded in a 11-coordinate geometry to one Co(3), one Co(4), one Sb(1), one Sb(10), one Sb(11), one Sb(4), one Sb(5), one Sb(8), one Sb(9), and two equivalent Sb(6) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(2), one Sb(1), one Sb(12), one Sb(2), one Sb(3), one Sb(4), and one Sb(7) atom. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Ce(1), one Sb(1), one Sb(12), one Sb(2), one Sb(3), one Sb(7), and one Sb(9) atom. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one Ce(2), one Ce(4), one Sb(1), one Sb(12), one Sb(3), one Sb(4), one Sb(6), and one Sb(7) atom. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one Ce(4), one Sb(1), one Sb(12), one Sb(3), one Sb(6), one Sb(7), and one Sb(9) atom. There are twelve inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Ce(4), one Co(1), one Co(2), one Co(3), one Co(4), and one Sb(6) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Ce(2), one Ce(3), two equivalent Ce(1), one Co(1), one Co(2), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Ce(1), one Co(1), one Co(2), one Co(3), one Co(4), and one Sb(2) atom. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(4), two equivalent Ce(2), one Co(1), and one Co(3) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), two equivalent Sb(10), and two equivalent Sb(11) atoms. In the sixth Sb site, Sb(6) is bonded in a 7-coordinate geometry to one Ce(2), one Ce(3), two equivalent Ce(4), one Co(3), one Co(4), and one Sb(1) atom. In the seventh Sb site, Sb(7) is bonded in a 5-coordinate geometry to one Ce(2), one Co(1), one Co(2), one Co(3), and one Co(4) atom. In the eighth Sb site, Sb(8) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), two equivalent Sb(10), and two equivalent Sb(11) atoms. In the ninth Sb site, Sb(9) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(4), two equivalent Ce(3), one Co(2), and one Co(4) atom. In the tenth Sb site, Sb(10) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), two equivalent Sb(5), and two equivalent Sb(8) atoms. In the eleventh Sb site, Sb(11) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), two equivalent Sb(5), and two equivalent Sb(8) atoms. In the twelfth Sb site, Sb(12) is bonded in a 5-coordinate geometry to one Ce(3), one Co(1), one Co(2), one Co(3), and one Co(4) atom. is represented by the CIF file [CIF]
data_CeCoSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.175
_cell_length_b   12.116
_cell_length_c   12.792
_cell_angle_alpha   90.001
_cell_angle_beta   90.040
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   956.980
_cell_formula_units_Z   8
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  0.226  0.250  0.302  1.0
  Ce  Ce1  1  0.774  0.750  0.698  1.0
  Ce  Ce2  1  0.749  0.500  0.298  1.0
  Ce  Ce3  1  0.250  0.500  0.701  1.0
  Ce  Ce4  1  0.726  0.251  0.698  1.0
  Ce  Ce5  1  0.274  0.751  0.302  1.0
  Ce  Ce6  1  0.750  1.000  0.299  1.0
  Ce  Ce7  1  0.251  0.000  0.702  1.0
  Co  Co8  1  0.540  0.865  0.903  1.0
  Co  Co9  1  0.460  0.365  0.097  1.0
  Co  Co10  1  0.540  0.635  0.905  1.0
  Co  Co11  1  0.460  0.135  0.095  1.0
  Co  Co12  1  0.961  0.135  0.903  1.0
  Co  Co13  1  0.042  0.864  0.095  1.0
  Co  Co14  1  0.039  0.635  0.097  1.0
  Co  Co15  1  0.958  0.364  0.905  1.0
  Sb  Sb16  1  0.387  0.749  0.055  1.0
  Sb  Sb17  1  0.269  0.750  0.787  1.0
  Sb  Sb18  1  0.113  0.250  0.055  1.0
  Sb  Sb19  1  0.751  0.000  0.782  1.0
  Sb  Sb20  1  0.013  0.876  0.498  1.0
  Sb  Sb21  1  0.769  0.750  0.212  1.0
  Sb  Sb22  1  0.231  0.250  0.788  1.0
  Sb  Sb23  1  0.750  0.500  0.028  1.0
  Sb  Sb24  1  0.731  0.250  0.213  1.0
  Sb  Sb25  1  0.486  0.124  0.498  1.0
  Sb  Sb26  1  0.750  0.500  0.782  1.0
  Sb  Sb27  1  0.987  0.125  0.503  1.0
  Sb  Sb28  1  0.613  0.249  0.945  1.0
  Sb  Sb29  1  0.887  0.750  0.945  1.0
  Sb  Sb30  1  0.249  0.500  0.218  1.0
  Sb  Sb31  1  0.250  1.000  0.972  1.0
  Sb  Sb32  1  0.013  0.625  0.497  1.0
  Sb  Sb33  1  0.487  0.375  0.497  1.0
  Sb  Sb34  1  0.250  0.000  0.218  1.0
  Sb  Sb35  1  0.751  1.000  0.027  1.0
  Sb  Sb36  1  0.514  0.624  0.502  1.0
  Sb  Sb37  1  0.987  0.376  0.502  1.0
  Sb  Sb38  1  0.249  0.500  0.973  1.0
  Sb  Sb39  1  0.513  0.875  0.503  1.0
[/CIF]
.
The material structure described by CeCoSb3 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to one Co(1), one Co(2), one Sb(10), one Sb(11), one Sb(3), one Sb(4), one Sb(5), one Sb(8), one Sb(9), and two equivalent Sb(2) atoms. In the second Ce site, Ce(2) is bonded in a 11-coordinate geometry to one Co(1), one Co(3), one Sb(10), one Sb(11), one Sb(2), one Sb(5), one Sb(6), one Sb(7), one Sb(8), and two equivalent Sb(4) atoms. In the third Ce site, Ce(3) is bonded in a 9-coordinate geometry to one Sb(10), one Sb(11), one Sb(12), one Sb(2), one Sb(5), one Sb(6), one Sb(8), and two equivalent Sb(9) atoms. In the fourth Ce site, Ce(4) is bonded in a 11-coordinate geometry to one Co(3), one Co(4), one Sb(1), one Sb(10), one Sb(11), one Sb(4), one Sb(5), one Sb(8), one Sb(9), and two equivalent Sb(6) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(2), one Sb(1), one Sb(12), one Sb(2), one Sb(3), one Sb(4), and one Sb(7) atom. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Ce(1), one Sb(1), one Sb(12), one Sb(2), one Sb(3), one Sb(7), and one Sb(9) atom. In the third Co site, Co(3) is bonded in a 6-coordinate geometry to one Ce(2), one Ce(4), one Sb(1), one Sb(12), one Sb(3), one Sb(4), one Sb(6), and one Sb(7) atom. In the fourth Co site, Co(4) is bonded in a 6-coordinate geometry to one Ce(4), one Sb(1), one Sb(12), one Sb(3), one Sb(6), one Sb(7), and one Sb(9) atom. There are twelve inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Ce(4), one Co(1), one Co(2), one Co(3), one Co(4), and one Sb(6) atom. In the second Sb site, Sb(2) is bonded in a 7-coordinate geometry to one Ce(2), one Ce(3), two equivalent Ce(1), one Co(1), one Co(2), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Ce(1), one Co(1), one Co(2), one Co(3), one Co(4), and one Sb(2) atom. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(4), two equivalent Ce(2), one Co(1), and one Co(3) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), two equivalent Sb(10), and two equivalent Sb(11) atoms. In the sixth Sb site, Sb(6) is bonded in a 7-coordinate geometry to one Ce(2), one Ce(3), two equivalent Ce(4), one Co(3), one Co(4), and one Sb(1) atom. In the seventh Sb site, Sb(7) is bonded in a 5-coordinate geometry to one Ce(2), one Co(1), one Co(2), one Co(3), and one Co(4) atom. In the eighth Sb site, Sb(8) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), two equivalent Sb(10), and two equivalent Sb(11) atoms. In the ninth Sb site, Sb(9) is bonded in a 6-coordinate geometry to one Ce(1), one Ce(4), two equivalent Ce(3), one Co(2), and one Co(4) atom. In the tenth Sb site, Sb(10) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), two equivalent Sb(5), and two equivalent Sb(8) atoms. In the eleventh Sb site, Sb(11) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(2), one Ce(3), one Ce(4), two equivalent Sb(5), and two equivalent Sb(8) atoms. In the twelfth Sb site, Sb(12) is bonded in a 5-coordinate geometry to one Ce(3), one Co(1), one Co(2), one Co(3), and one Co(4) atom. is represented by the CIF file [CIF]
data_CeCoSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.175
_cell_length_b   12.116
_cell_length_c   12.792
_cell_angle_alpha   90.001
_cell_angle_beta   90.040
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   956.980
_cell_formula_units_Z   8
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  0.226  0.250  0.302  1.0
  Ce  Ce1  1  0.774  0.750  0.698  1.0
  Ce  Ce2  1  0.749  0.500  0.298  1.0
  Ce  Ce3  1  0.250  0.500  0.701  1.0
  Ce  Ce4  1  0.726  0.251  0.698  1.0
  Ce  Ce5  1  0.274  0.751  0.302  1.0
  Ce  Ce6  1  0.750  1.000  0.299  1.0
  Ce  Ce7  1  0.251  0.000  0.702  1.0
  Co  Co8  1  0.540  0.865  0.903  1.0
  Co  Co9  1  0.460  0.365  0.097  1.0
  Co  Co10  1  0.540  0.635  0.905  1.0
  Co  Co11  1  0.460  0.135  0.095  1.0
  Co  Co12  1  0.961  0.135  0.903  1.0
  Co  Co13  1  0.042  0.864  0.095  1.0
  Co  Co14  1  0.039  0.635  0.097  1.0
  Co  Co15  1  0.958  0.364  0.905  1.0
  Sb  Sb16  1  0.387  0.749  0.055  1.0
  Sb  Sb17  1  0.269  0.750  0.787  1.0
  Sb  Sb18  1  0.113  0.250  0.055  1.0
  Sb  Sb19  1  0.751  0.000  0.782  1.0
  Sb  Sb20  1  0.013  0.876  0.498  1.0
  Sb  Sb21  1  0.769  0.750  0.212  1.0
  Sb  Sb22  1  0.231  0.250  0.788  1.0
  Sb  Sb23  1  0.750  0.500  0.028  1.0
  Sb  Sb24  1  0.731  0.250  0.213  1.0
  Sb  Sb25  1  0.486  0.124  0.498  1.0
  Sb  Sb26  1  0.750  0.500  0.782  1.0
  Sb  Sb27  1  0.987  0.125  0.503  1.0
  Sb  Sb28  1  0.613  0.249  0.945  1.0
  Sb  Sb29  1  0.887  0.750  0.945  1.0
  Sb  Sb30  1  0.249  0.500  0.218  1.0
  Sb  Sb31  1  0.250  1.000  0.972  1.0
  Sb  Sb32  1  0.013  0.625  0.497  1.0
  Sb  Sb33  1  0.487  0.375  0.497  1.0
  Sb  Sb34  1  0.250  0.000  0.218  1.0
  Sb  Sb35  1  0.751  1.000  0.027  1.0
  Sb  Sb36  1  0.514  0.624  0.502  1.0
  Sb  Sb37  1  0.987  0.376  0.502  1.0
  Sb  Sb38  1  0.249  0.500  0.973  1.0
  Sb  Sb39  1  0.513  0.875  0.503  1.0
[/CIF]
.