The material described by Co4Cu3(NiSe6)2 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one Se(4), one Se(6), two equivalent Se(7), and two equivalent Se(9) atoms to form CoSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Ni(1)Se6 octahedra,  an edgeedge with one Ni(2)Se6 octahedra, and edges with four equivalent Co(3)Se6 octahedra. In the second Co site, Co(2) is bonded to two equivalent Se(2), two equivalent Se(5), and two equivalent Se(8) atoms to form CoSe6 octahedra that share corners with two equivalent Cu(3)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, edges with two equivalent Co(2)Se6 octahedra, edges with two equivalent Ni(1)Se6 octahedra, and edges with two equivalent Ni(3)Se6 octahedra. In the third Co site, Co(3) is bonded to one Se(1), one Se(3), one Se(4), one Se(6), one Se(7), and one Se(9) atom to form CoSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Ni(1)Se6 octahedra,  an edgeedge with one Ni(2)Se6 octahedra, edges with two equivalent Co(1)Se6 octahedra, and edges with two equivalent Co(3)Se6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Se(2), one Se(3), two equivalent Se(8), and two equivalent Se(9) atoms to form NiSe6 octahedra that share corners with three equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Cu(3)Se4 tetrahedra,  an edgeedge with one Co(1)Se6 octahedra,  an edgeedge with one Ni(3)Se6 octahedra, edges with two equivalent Co(2)Se6 octahedra, and edges with two equivalent Co(3)Se6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent Se(1) and four equivalent Se(7) atoms to form NiSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Co(1)Se6 octahedra, and edges with four equivalent Co(3)Se6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent Se(5) and four equivalent Se(8) atoms to form NiSe6 octahedra that share corners with two equivalent Cu(3)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, edges with two equivalent Ni(1)Se6 octahedra, and edges with four equivalent Co(2)Se6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(6), and two equivalent Se(7) atoms to form CuSe4 tetrahedra that share corners with three equivalent Co(1)Se6 octahedra, corners with three equivalent Ni(2)Se6 octahedra, and corners with six equivalent Co(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the second Cu site, Cu(2) is bonded to one Se(2), one Se(4), and two equivalent Se(8) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Co(1)Se6 octahedra, corners with two equivalent Co(3)Se6 octahedra, corners with two equivalent Ni(3)Se6 octahedra, corners with three equivalent Ni(1)Se6 octahedra, and corners with four equivalent Co(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the third Cu site, Cu(3) is bonded to one Se(3), one Se(5), and two equivalent Se(9) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Ni(3)Se6 octahedra, corners with two equivalent Co(1)Se6 octahedra, corners with two equivalent Co(2)Se6 octahedra, corners with three equivalent Ni(1)Se6 octahedra, and corners with four equivalent Co(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are nine inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Co(3), one Ni(2), and one Cu(1) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(1)Co2CuNi trigonal pyramid, corners with two equivalent Se(3)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with three equivalent Se(6)Co3Cu trigonal pyramids, corners with four equivalent Se(7)Co2CuNi trigonal pyramids,  an edgeedge with one Se(4)Co3Cu trigonal pyramid, and edges with two equivalent Se(7)Co2CuNi trigonal pyramids. In the second Se site, Se(2) is bonded to two equivalent Co(2), one Ni(1), and one Cu(2) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(3)Co2CuNi trigonal pyramid,  a cornercorner with one Se(4)Co3Cu trigonal pyramid, corners with two equivalent Se(2)Co2CuNi trigonal pyramids, corners with two equivalent Se(5)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with four equivalent Se(8)CoCuNi2 trigonal pyramids,  an edgeedge with one Se(5)Co2CuNi trigonal pyramid, and edges with two equivalent Se(8)CoCuNi2 trigonal pyramids. In the third Se site, Se(3) is bonded to two equivalent Co(3), one Ni(1), and one Cu(3) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(2)Co2CuNi trigonal pyramid,  a cornercorner with one Se(5)Co2CuNi trigonal pyramid, corners with two equivalent Se(1)Co2CuNi trigonal pyramids, corners with two equivalent Se(7)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with two equivalent Se(4)Co3Cu trigonal pyramids, corners with two equivalent Se(8)CoCuNi2 trigonal pyramids,  an edgeedge with one Se(6)Co3Cu trigonal pyramid, and edges with two equivalent Se(9)Co2CuNi trigonal pyramids. In the fourth Se site, Se(4) is bonded to one Co(1), two equivalent Co(3), and one Cu(2) atom to form distorted SeCo3Cu trigonal pyramids that share  a cornercorner with one Se(2)Co2CuNi trigonal pyramid, corners with two equivalent Se(3)Co2CuNi trigonal pyramids, corners with two equivalent Se(8)CoCuNi2 trigonal pyramids, corners with three equivalent Se(6)Co3Cu trigonal pyramids, corners with four equivalent Se(9)Co2CuNi trigonal pyramids,  an edgeedge with one Se(1)Co2CuNi trigonal pyramid, and edges with two equivalent Se(7)Co2CuNi trigonal pyramids. In the fifth Se site, Se(5) is bonded to two equivalent Co(2), one Ni(3), and one Cu(3) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(3)Co2CuNi trigonal pyramid, corners with two equivalent Se(2)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with three equivalent Se(5)Co2CuNi trigonal pyramids, corners with four equivalent Se(8)CoCuNi2 trigonal pyramids,  an edgeedge with one Se(2)Co2CuNi trigonal pyramid, and edges with two equivalent Se(8)CoCuNi2 trigonal pyramids. In the sixth Se site, Se(6) is bonded to one Co(1), two equivalent Co(3), and one Cu(1) atom to form distorted SeCo3Cu trigonal pyramids that share corners with three equivalent Se(1)Co2CuNi trigonal pyramids, corners with three equivalent Se(4)Co3Cu trigonal pyramids, corners with six equivalent Se(7)Co2CuNi trigonal pyramids,  an edgeedge with one Se(3)Co2CuNi trigonal pyramid, and edges with two equivalent Se(9)Co2CuNi trigonal pyramids. In the seventh Se site, Se(7) is bonded to one Co(1), one Co(3), one Ni(2), and one Cu(1) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(3)Co2CuNi trigonal pyramid, corners with two equivalent Se(1)Co2CuNi trigonal pyramids, corners with three equivalent Se(7)Co2CuNi trigonal pyramids, corners with three equivalent Se(9)Co2CuNi trigonal pyramids, corners with three equivalent Se(6)Co3Cu trigonal pyramids,  an edgeedge with one Se(1)Co2CuNi trigonal pyramid,  an edgeedge with one Se(7)Co2CuNi trigonal pyramid, and  an edgeedge with one Se(4)Co3Cu trigonal pyramid. In the eighth Se site, Se(8) is bonded to one Co(2), one Ni(1), one Ni(3), and one Cu(2) atom to form distorted SeCoCuNi2 trigonal pyramids that share  a cornercorner with one Se(3)Co2CuNi trigonal pyramid,  a cornercorner with one Se(4)Co3Cu trigonal pyramid, corners with two equivalent Se(2)Co2CuNi trigonal pyramids, corners with two equivalent Se(5)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with four equivalent Se(8)CoCuNi2 trigonal pyramids,  an edgeedge with one Se(2)Co2CuNi trigonal pyramid,  an edgeedge with one Se(5)Co2CuNi trigonal pyramid, and  an edgeedge with one Se(8)CoCuNi2 trigonal pyramid. In the ninth Se site, Se(9) is bonded to one Co(1), one Co(3), one Ni(1), and one Cu(3) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(1)Co2CuNi trigonal pyramid,  a cornercorner with one Se(2)Co2CuNi trigonal pyramid,  a cornercorner with one Se(3)Co2CuNi trigonal pyramid,  a cornercorner with one Se(5)Co2CuNi trigonal pyramid,  a cornercorner with one Se(9)Co2CuNi trigonal pyramid, corners with two equivalent Se(4)Co3Cu trigonal pyramids, corners with two equivalent Se(8)CoCuNi2 trigonal pyramids, corners with three equivalent Se(7)Co2CuNi trigonal pyramids,  an edgeedge with one Se(3)Co2CuNi trigonal pyramid,  an edgeedge with one Se(9)Co2CuNi trigonal pyramid, and  an edgeedge with one Se(6)Co3Cu trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co4Cu3(NiSe6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.137
_cell_length_b   7.137
_cell_length_c   17.507
_cell_angle_alpha   89.976
_cell_angle_beta   89.976
_cell_angle_gamma   59.986
_symmetry_Int_Tables_number   1
_cell_volume   772.077
_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
  Co  Co0  1  0.167  0.167  0.667  1.0
  Co  Co1  1  0.833  0.833  0.333  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.166  0.667  0.666  1.0
  Co  Co4  1  0.834  0.333  0.334  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.667  0.166  0.666  1.0
  Co  Co7  1  0.333  0.834  0.334  1.0
  Cu  Cu8  1  0.333  0.333  0.459  1.0
  Cu  Cu9  1  1.000  1.000  0.125  1.0
  Cu  Cu10  1  0.667  0.667  0.792  1.0
  Cu  Cu11  1  0.333  0.333  0.208  1.0
  Cu  Cu12  1  0.000  0.000  0.875  1.0
  Cu  Cu13  1  0.667  0.667  0.541  1.0
  Ni  Ni14  1  0.667  0.667  0.167  1.0
  Ni  Ni15  1  0.333  0.333  0.833  1.0
  Ni  Ni16  1  0.000  0.000  0.500  1.0
  Ni  Ni17  1  0.500  0.500  0.000  1.0
  Se  Se18  1  0.150  0.150  0.411  1.0
  Se  Se19  1  0.817  0.817  0.078  1.0
  Se  Se20  1  0.483  0.483  0.744  1.0
  Se  Se21  1  0.000  0.000  0.263  1.0
  Se  Se22  1  0.668  0.668  0.929  1.0
  Se  Se23  1  0.333  0.333  0.596  1.0
  Se  Se24  1  0.700  0.150  0.411  1.0
  Se  Se25  1  0.366  0.819  0.079  1.0
  Se  Se26  1  0.034  0.483  0.745  1.0
  Se  Se27  1  0.150  0.700  0.411  1.0
  Se  Se28  1  0.819  0.366  0.079  1.0
  Se  Se29  1  0.483  0.034  0.745  1.0
  Se  Se30  1  0.517  0.517  0.256  1.0
  Se  Se31  1  0.183  0.183  0.922  1.0
  Se  Se32  1  0.850  0.850  0.589  1.0
  Se  Se33  1  0.667  0.667  0.404  1.0
  Se  Se34  1  0.332  0.332  0.071  1.0
  Se  Se35  1  1.000  1.000  0.737  1.0
  Se  Se36  1  0.966  0.517  0.255  1.0
  Se  Se37  1  0.634  0.181  0.921  1.0
  Se  Se38  1  0.300  0.850  0.589  1.0
  Se  Se39  1  0.517  0.966  0.255  1.0
  Se  Se40  1  0.181  0.634  0.921  1.0
  Se  Se41  1  0.850  0.300  0.589  1.0
[/CIF]
.
The material described by Co4Cu3(NiSe6)2 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one Se(4), one Se(6), two equivalent Se(7), and two equivalent Se(9) atoms to form CoSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Ni(1)Se6 octahedra,  an edgeedge with one Ni(2)Se6 octahedra, and edges with four equivalent Co(3)Se6 octahedra. In the second Co site, Co(2) is bonded to two equivalent Se(2), two equivalent Se(5), and two equivalent Se(8) atoms to form CoSe6 octahedra that share corners with two equivalent Cu(3)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, edges with two equivalent Co(2)Se6 octahedra, edges with two equivalent Ni(1)Se6 octahedra, and edges with two equivalent Ni(3)Se6 octahedra. In the third Co site, Co(3) is bonded to one Se(1), one Se(3), one Se(4), one Se(6), one Se(7), and one Se(9) atom to form CoSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with three equivalent Cu(1)Se4 tetrahedra,  an edgeedge with one Ni(1)Se6 octahedra,  an edgeedge with one Ni(2)Se6 octahedra, edges with two equivalent Co(1)Se6 octahedra, and edges with two equivalent Co(3)Se6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Se(2), one Se(3), two equivalent Se(8), and two equivalent Se(9) atoms to form NiSe6 octahedra that share corners with three equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Cu(3)Se4 tetrahedra,  an edgeedge with one Co(1)Se6 octahedra,  an edgeedge with one Ni(3)Se6 octahedra, edges with two equivalent Co(2)Se6 octahedra, and edges with two equivalent Co(3)Se6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent Se(1) and four equivalent Se(7) atoms to form NiSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Co(1)Se6 octahedra, and edges with four equivalent Co(3)Se6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent Se(5) and four equivalent Se(8) atoms to form NiSe6 octahedra that share corners with two equivalent Cu(3)Se4 tetrahedra, corners with four equivalent Cu(2)Se4 tetrahedra, edges with two equivalent Ni(1)Se6 octahedra, and edges with four equivalent Co(2)Se6 octahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(1), one Se(6), and two equivalent Se(7) atoms to form CuSe4 tetrahedra that share corners with three equivalent Co(1)Se6 octahedra, corners with three equivalent Ni(2)Se6 octahedra, and corners with six equivalent Co(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the second Cu site, Cu(2) is bonded to one Se(2), one Se(4), and two equivalent Se(8) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Co(1)Se6 octahedra, corners with two equivalent Co(3)Se6 octahedra, corners with two equivalent Ni(3)Se6 octahedra, corners with three equivalent Ni(1)Se6 octahedra, and corners with four equivalent Co(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the third Cu site, Cu(3) is bonded to one Se(3), one Se(5), and two equivalent Se(9) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Ni(3)Se6 octahedra, corners with two equivalent Co(1)Se6 octahedra, corners with two equivalent Co(2)Se6 octahedra, corners with three equivalent Ni(1)Se6 octahedra, and corners with four equivalent Co(3)Se6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are nine inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Co(3), one Ni(2), and one Cu(1) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(1)Co2CuNi trigonal pyramid, corners with two equivalent Se(3)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with three equivalent Se(6)Co3Cu trigonal pyramids, corners with four equivalent Se(7)Co2CuNi trigonal pyramids,  an edgeedge with one Se(4)Co3Cu trigonal pyramid, and edges with two equivalent Se(7)Co2CuNi trigonal pyramids. In the second Se site, Se(2) is bonded to two equivalent Co(2), one Ni(1), and one Cu(2) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(3)Co2CuNi trigonal pyramid,  a cornercorner with one Se(4)Co3Cu trigonal pyramid, corners with two equivalent Se(2)Co2CuNi trigonal pyramids, corners with two equivalent Se(5)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with four equivalent Se(8)CoCuNi2 trigonal pyramids,  an edgeedge with one Se(5)Co2CuNi trigonal pyramid, and edges with two equivalent Se(8)CoCuNi2 trigonal pyramids. In the third Se site, Se(3) is bonded to two equivalent Co(3), one Ni(1), and one Cu(3) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(2)Co2CuNi trigonal pyramid,  a cornercorner with one Se(5)Co2CuNi trigonal pyramid, corners with two equivalent Se(1)Co2CuNi trigonal pyramids, corners with two equivalent Se(7)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with two equivalent Se(4)Co3Cu trigonal pyramids, corners with two equivalent Se(8)CoCuNi2 trigonal pyramids,  an edgeedge with one Se(6)Co3Cu trigonal pyramid, and edges with two equivalent Se(9)Co2CuNi trigonal pyramids. In the fourth Se site, Se(4) is bonded to one Co(1), two equivalent Co(3), and one Cu(2) atom to form distorted SeCo3Cu trigonal pyramids that share  a cornercorner with one Se(2)Co2CuNi trigonal pyramid, corners with two equivalent Se(3)Co2CuNi trigonal pyramids, corners with two equivalent Se(8)CoCuNi2 trigonal pyramids, corners with three equivalent Se(6)Co3Cu trigonal pyramids, corners with four equivalent Se(9)Co2CuNi trigonal pyramids,  an edgeedge with one Se(1)Co2CuNi trigonal pyramid, and edges with two equivalent Se(7)Co2CuNi trigonal pyramids. In the fifth Se site, Se(5) is bonded to two equivalent Co(2), one Ni(3), and one Cu(3) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(3)Co2CuNi trigonal pyramid, corners with two equivalent Se(2)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with three equivalent Se(5)Co2CuNi trigonal pyramids, corners with four equivalent Se(8)CoCuNi2 trigonal pyramids,  an edgeedge with one Se(2)Co2CuNi trigonal pyramid, and edges with two equivalent Se(8)CoCuNi2 trigonal pyramids. In the sixth Se site, Se(6) is bonded to one Co(1), two equivalent Co(3), and one Cu(1) atom to form distorted SeCo3Cu trigonal pyramids that share corners with three equivalent Se(1)Co2CuNi trigonal pyramids, corners with three equivalent Se(4)Co3Cu trigonal pyramids, corners with six equivalent Se(7)Co2CuNi trigonal pyramids,  an edgeedge with one Se(3)Co2CuNi trigonal pyramid, and edges with two equivalent Se(9)Co2CuNi trigonal pyramids. In the seventh Se site, Se(7) is bonded to one Co(1), one Co(3), one Ni(2), and one Cu(1) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(3)Co2CuNi trigonal pyramid, corners with two equivalent Se(1)Co2CuNi trigonal pyramids, corners with three equivalent Se(7)Co2CuNi trigonal pyramids, corners with three equivalent Se(9)Co2CuNi trigonal pyramids, corners with three equivalent Se(6)Co3Cu trigonal pyramids,  an edgeedge with one Se(1)Co2CuNi trigonal pyramid,  an edgeedge with one Se(7)Co2CuNi trigonal pyramid, and  an edgeedge with one Se(4)Co3Cu trigonal pyramid. In the eighth Se site, Se(8) is bonded to one Co(2), one Ni(1), one Ni(3), and one Cu(2) atom to form distorted SeCoCuNi2 trigonal pyramids that share  a cornercorner with one Se(3)Co2CuNi trigonal pyramid,  a cornercorner with one Se(4)Co3Cu trigonal pyramid, corners with two equivalent Se(2)Co2CuNi trigonal pyramids, corners with two equivalent Se(5)Co2CuNi trigonal pyramids, corners with two equivalent Se(9)Co2CuNi trigonal pyramids, corners with four equivalent Se(8)CoCuNi2 trigonal pyramids,  an edgeedge with one Se(2)Co2CuNi trigonal pyramid,  an edgeedge with one Se(5)Co2CuNi trigonal pyramid, and  an edgeedge with one Se(8)CoCuNi2 trigonal pyramid. In the ninth Se site, Se(9) is bonded to one Co(1), one Co(3), one Ni(1), and one Cu(3) atom to form distorted SeCo2CuNi trigonal pyramids that share  a cornercorner with one Se(1)Co2CuNi trigonal pyramid,  a cornercorner with one Se(2)Co2CuNi trigonal pyramid,  a cornercorner with one Se(3)Co2CuNi trigonal pyramid,  a cornercorner with one Se(5)Co2CuNi trigonal pyramid,  a cornercorner with one Se(9)Co2CuNi trigonal pyramid, corners with two equivalent Se(4)Co3Cu trigonal pyramids, corners with two equivalent Se(8)CoCuNi2 trigonal pyramids, corners with three equivalent Se(7)Co2CuNi trigonal pyramids,  an edgeedge with one Se(3)Co2CuNi trigonal pyramid,  an edgeedge with one Se(9)Co2CuNi trigonal pyramid, and  an edgeedge with one Se(6)Co3Cu trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co4Cu3(NiSe6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.137
_cell_length_b   7.137
_cell_length_c   17.507
_cell_angle_alpha   89.976
_cell_angle_beta   89.976
_cell_angle_gamma   59.986
_symmetry_Int_Tables_number   1
_cell_volume   772.077
_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
  Co  Co0  1  0.167  0.167  0.667  1.0
  Co  Co1  1  0.833  0.833  0.333  1.0
  Co  Co2  1  0.500  0.000  0.000  1.0
  Co  Co3  1  0.166  0.667  0.666  1.0
  Co  Co4  1  0.834  0.333  0.334  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  Co  Co6  1  0.667  0.166  0.666  1.0
  Co  Co7  1  0.333  0.834  0.334  1.0
  Cu  Cu8  1  0.333  0.333  0.459  1.0
  Cu  Cu9  1  1.000  1.000  0.125  1.0
  Cu  Cu10  1  0.667  0.667  0.792  1.0
  Cu  Cu11  1  0.333  0.333  0.208  1.0
  Cu  Cu12  1  0.000  0.000  0.875  1.0
  Cu  Cu13  1  0.667  0.667  0.541  1.0
  Ni  Ni14  1  0.667  0.667  0.167  1.0
  Ni  Ni15  1  0.333  0.333  0.833  1.0
  Ni  Ni16  1  0.000  0.000  0.500  1.0
  Ni  Ni17  1  0.500  0.500  0.000  1.0
  Se  Se18  1  0.150  0.150  0.411  1.0
  Se  Se19  1  0.817  0.817  0.078  1.0
  Se  Se20  1  0.483  0.483  0.744  1.0
  Se  Se21  1  0.000  0.000  0.263  1.0
  Se  Se22  1  0.668  0.668  0.929  1.0
  Se  Se23  1  0.333  0.333  0.596  1.0
  Se  Se24  1  0.700  0.150  0.411  1.0
  Se  Se25  1  0.366  0.819  0.079  1.0
  Se  Se26  1  0.034  0.483  0.745  1.0
  Se  Se27  1  0.150  0.700  0.411  1.0
  Se  Se28  1  0.819  0.366  0.079  1.0
  Se  Se29  1  0.483  0.034  0.745  1.0
  Se  Se30  1  0.517  0.517  0.256  1.0
  Se  Se31  1  0.183  0.183  0.922  1.0
  Se  Se32  1  0.850  0.850  0.589  1.0
  Se  Se33  1  0.667  0.667  0.404  1.0
  Se  Se34  1  0.332  0.332  0.071  1.0
  Se  Se35  1  1.000  1.000  0.737  1.0
  Se  Se36  1  0.966  0.517  0.255  1.0
  Se  Se37  1  0.634  0.181  0.921  1.0
  Se  Se38  1  0.300  0.850  0.589  1.0
  Se  Se39  1  0.517  0.966  0.255  1.0
  Se  Se40  1  0.181  0.634  0.921  1.0
  Se  Se41  1  0.850  0.300  0.589  1.0
[/CIF]
.