The material structure described by Cu3Ga3(Te2Se)2 is Stannite-like structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Te(3), two equivalent Te(4), and one Se(2) atom to form CuTe3Se tetrahedra that share  a cornercorner with one Cu(2)Te2Se2 tetrahedra,  a cornercorner with one Cu(3)Te3Se tetrahedra, corners with two equivalent Cu(1)Te3Se tetrahedra, corners with two equivalent Ga(1)Te3Se tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with four equivalent Ga(3)TeSe3 tetrahedra. In the second Cu site, Cu(2) is bonded to one Te(1), one Te(3), and two equivalent Se(1) atoms to form CuTe2Se2 tetrahedra that share  a cornercorner with one Cu(1)Te3Se tetrahedra,  a cornercorner with one Cu(3)Te3Se tetrahedra, corners with two equivalent Cu(2)Te2Se2 tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, corners with two equivalent Ga(3)TeSe3 tetrahedra, and corners with four equivalent Ga(1)Te3Se tetrahedra. In the third Cu site, Cu(3) is bonded to one Te(1), two equivalent Te(2), and one Se(2) atom to form CuTe3Se tetrahedra that share  a cornercorner with one Cu(2)Te2Se2 tetrahedra,  a cornercorner with one Cu(1)Te3Se tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(1)Te3Se tetrahedra, corners with two equivalent Ga(3)TeSe3 tetrahedra, and corners with four equivalent Ga(2)Te4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(2), two equivalent Te(3), and one Se(1) atom to form GaTe3Se tetrahedra that share  a cornercorner with one Ga(2)Te4 tetrahedra,  a cornercorner with one Ga(3)TeSe3 tetrahedra, corners with two equivalent Cu(1)Te3Se tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(1)Te3Se tetrahedra, and corners with four equivalent Cu(2)Te2Se2 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(2), one Te(4), and two equivalent Te(1) atoms to form GaTe4 tetrahedra that share  a cornercorner with one Ga(1)Te3Se tetrahedra,  a cornercorner with one Ga(3)TeSe3 tetrahedra, corners with two equivalent Cu(2)Te2Se2 tetrahedra, corners with two equivalent Cu(1)Te3Se tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with four equivalent Cu(3)Te3Se tetrahedra. In the third Ga site, Ga(3) is bonded to one Te(4), one Se(1), and two equivalent Se(2) atoms to form GaTeSe3 tetrahedra that share  a cornercorner with one Ga(1)Te3Se tetrahedra,  a cornercorner with one Ga(2)Te4 tetrahedra, corners with two equivalent Cu(2)Te2Se2 tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(3)TeSe3 tetrahedra, and corners with four equivalent Cu(1)Te3Se tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(2), one Cu(3), and two equivalent Ga(2) atoms to form TeGa2Cu2 tetrahedra that share  a cornercorner with one Te(3)Ga2Cu2 tetrahedra,  a cornercorner with one Se(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Te(4)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, and corners with four equivalent Te(2)Ga2Cu2 tetrahedra. In the second Te site, Te(2) is bonded to two equivalent Cu(3), one Ga(1), and one Ga(2) atom to form TeGa2Cu2 tetrahedra that share  a cornercorner with one Te(4)Ga2Cu2 tetrahedra,  a cornercorner with one Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, and corners with four equivalent Te(1)Ga2Cu2 tetrahedra. In the third Te site, Te(3) is bonded to one Cu(1), one Cu(2), and two equivalent Ga(1) atoms to form TeGa2Cu2 tetrahedra that share  a cornercorner with one Te(1)Ga2Cu2 tetrahedra,  a cornercorner with one Se(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with two equivalent Te(4)Ga2Cu2 tetrahedra, and corners with four equivalent Se(1)Ga2Cu2 tetrahedra. In the fourth Te site, Te(4) is bonded to two equivalent Cu(1), one Ga(2), and one Ga(3) atom to form TeGa2Cu2 tetrahedra that share  a cornercorner with one Te(2)Ga2Cu2 tetrahedra,  a cornercorner with one Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with two equivalent Te(4)Ga2Cu2 tetrahedra, and corners with four equivalent Se(2)Ga2Cu2 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Cu(2), one Ga(1), and one Ga(3) atom to form SeGa2Cu2 tetrahedra that share  a cornercorner with one Te(2)Ga2Cu2 tetrahedra,  a cornercorner with one Te(4)Ga2Cu2 tetrahedra, corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, and corners with four equivalent Te(3)Ga2Cu2 tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(3), and two equivalent Ga(3) atoms to form SeGa2Cu2 tetrahedra that share  a cornercorner with one Te(1)Ga2Cu2 tetrahedra,  a cornercorner with one Te(3)Ga2Cu2 tetrahedra, corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, and corners with four equivalent Te(4)Ga2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Ga3Cu3(Te2Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.253
_cell_length_b   8.487
_cell_length_c   11.103
_cell_angle_alpha   67.529
_cell_angle_beta   90.507
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.549
_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
  Ga  Ga0  1  0.351  0.527  0.677  1.0
  Ga  Ga1  1  0.851  0.795  0.677  1.0
  Ga  Ga2  1  0.162  0.457  0.331  1.0
  Ga  Ga3  1  0.662  0.212  0.331  1.0
  Ga  Ga4  1  0.496  0.111  0.998  1.0
  Ga  Ga5  1  0.996  0.892  0.998  1.0
  Cu  Cu6  1  0.019  0.362  0.006  1.0
  Cu  Cu7  1  0.519  0.632  0.006  1.0
  Cu  Cu8  1  0.825  0.270  0.674  1.0
  Cu  Cu9  1  0.325  0.055  0.674  1.0
  Cu  Cu10  1  0.668  0.723  0.322  1.0
  Cu  Cu11  1  0.168  0.955  0.322  1.0
  Te  Te12  1  0.822  0.424  0.422  1.0
  Te  Te13  1  0.322  0.154  0.422  1.0
  Te  Te14  1  0.341  0.667  0.416  1.0
  Te  Te15  1  0.841  0.917  0.416  1.0
  Te  Te16  1  0.002  0.483  0.756  1.0
  Te  Te17  1  0.502  0.762  0.756  1.0
  Te  Te18  1  0.675  0.335  0.073  1.0
  Te  Te19  1  0.175  0.591  0.073  1.0
  Se  Se20  1  0.506  0.239  0.754  1.0
  Se  Se21  1  0.006  0.007  0.754  1.0
  Se  Se22  1  0.173  0.081  0.084  1.0
  Se  Se23  1  0.673  0.835  0.084  1.0
[/CIF]
.
The material structure described by Cu3Ga3(Te2Se)2 is Stannite-like structured and crystallizes in the monoclinic Cc space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Te(3), two equivalent Te(4), and one Se(2) atom to form CuTe3Se tetrahedra that share  a cornercorner with one Cu(2)Te2Se2 tetrahedra,  a cornercorner with one Cu(3)Te3Se tetrahedra, corners with two equivalent Cu(1)Te3Se tetrahedra, corners with two equivalent Ga(1)Te3Se tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with four equivalent Ga(3)TeSe3 tetrahedra. In the second Cu site, Cu(2) is bonded to one Te(1), one Te(3), and two equivalent Se(1) atoms to form CuTe2Se2 tetrahedra that share  a cornercorner with one Cu(1)Te3Se tetrahedra,  a cornercorner with one Cu(3)Te3Se tetrahedra, corners with two equivalent Cu(2)Te2Se2 tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, corners with two equivalent Ga(3)TeSe3 tetrahedra, and corners with four equivalent Ga(1)Te3Se tetrahedra. In the third Cu site, Cu(3) is bonded to one Te(1), two equivalent Te(2), and one Se(2) atom to form CuTe3Se tetrahedra that share  a cornercorner with one Cu(2)Te2Se2 tetrahedra,  a cornercorner with one Cu(1)Te3Se tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(1)Te3Se tetrahedra, corners with two equivalent Ga(3)TeSe3 tetrahedra, and corners with four equivalent Ga(2)Te4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(2), two equivalent Te(3), and one Se(1) atom to form GaTe3Se tetrahedra that share  a cornercorner with one Ga(2)Te4 tetrahedra,  a cornercorner with one Ga(3)TeSe3 tetrahedra, corners with two equivalent Cu(1)Te3Se tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(1)Te3Se tetrahedra, and corners with four equivalent Cu(2)Te2Se2 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(2), one Te(4), and two equivalent Te(1) atoms to form GaTe4 tetrahedra that share  a cornercorner with one Ga(1)Te3Se tetrahedra,  a cornercorner with one Ga(3)TeSe3 tetrahedra, corners with two equivalent Cu(2)Te2Se2 tetrahedra, corners with two equivalent Cu(1)Te3Se tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with four equivalent Cu(3)Te3Se tetrahedra. In the third Ga site, Ga(3) is bonded to one Te(4), one Se(1), and two equivalent Se(2) atoms to form GaTeSe3 tetrahedra that share  a cornercorner with one Ga(1)Te3Se tetrahedra,  a cornercorner with one Ga(2)Te4 tetrahedra, corners with two equivalent Cu(2)Te2Se2 tetrahedra, corners with two equivalent Cu(3)Te3Se tetrahedra, corners with two equivalent Ga(3)TeSe3 tetrahedra, and corners with four equivalent Cu(1)Te3Se tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to one Cu(2), one Cu(3), and two equivalent Ga(2) atoms to form TeGa2Cu2 tetrahedra that share  a cornercorner with one Te(3)Ga2Cu2 tetrahedra,  a cornercorner with one Se(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Te(4)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, and corners with four equivalent Te(2)Ga2Cu2 tetrahedra. In the second Te site, Te(2) is bonded to two equivalent Cu(3), one Ga(1), and one Ga(2) atom to form TeGa2Cu2 tetrahedra that share  a cornercorner with one Te(4)Ga2Cu2 tetrahedra,  a cornercorner with one Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, and corners with four equivalent Te(1)Ga2Cu2 tetrahedra. In the third Te site, Te(3) is bonded to one Cu(1), one Cu(2), and two equivalent Ga(1) atoms to form TeGa2Cu2 tetrahedra that share  a cornercorner with one Te(1)Ga2Cu2 tetrahedra,  a cornercorner with one Se(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with two equivalent Te(4)Ga2Cu2 tetrahedra, and corners with four equivalent Se(1)Ga2Cu2 tetrahedra. In the fourth Te site, Te(4) is bonded to two equivalent Cu(1), one Ga(2), and one Ga(3) atom to form TeGa2Cu2 tetrahedra that share  a cornercorner with one Te(2)Ga2Cu2 tetrahedra,  a cornercorner with one Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Te(3)Ga2Cu2 tetrahedra, corners with two equivalent Te(4)Ga2Cu2 tetrahedra, and corners with four equivalent Se(2)Ga2Cu2 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Cu(2), one Ga(1), and one Ga(3) atom to form SeGa2Cu2 tetrahedra that share  a cornercorner with one Te(2)Ga2Cu2 tetrahedra,  a cornercorner with one Te(4)Ga2Cu2 tetrahedra, corners with two equivalent Te(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, and corners with four equivalent Te(3)Ga2Cu2 tetrahedra. In the second Se site, Se(2) is bonded to one Cu(1), one Cu(3), and two equivalent Ga(3) atoms to form SeGa2Cu2 tetrahedra that share  a cornercorner with one Te(1)Ga2Cu2 tetrahedra,  a cornercorner with one Te(3)Ga2Cu2 tetrahedra, corners with two equivalent Te(2)Ga2Cu2 tetrahedra, corners with two equivalent Se(1)Ga2Cu2 tetrahedra, corners with two equivalent Se(2)Ga2Cu2 tetrahedra, and corners with four equivalent Te(4)Ga2Cu2 tetrahedra. is represented by the CIF card [CIF]
data_Ga3Cu3(Te2Se)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.253
_cell_length_b   8.487
_cell_length_c   11.103
_cell_angle_alpha   67.529
_cell_angle_beta   90.507
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   631.549
_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
  Ga  Ga0  1  0.351  0.527  0.677  1.0
  Ga  Ga1  1  0.851  0.795  0.677  1.0
  Ga  Ga2  1  0.162  0.457  0.331  1.0
  Ga  Ga3  1  0.662  0.212  0.331  1.0
  Ga  Ga4  1  0.496  0.111  0.998  1.0
  Ga  Ga5  1  0.996  0.892  0.998  1.0
  Cu  Cu6  1  0.019  0.362  0.006  1.0
  Cu  Cu7  1  0.519  0.632  0.006  1.0
  Cu  Cu8  1  0.825  0.270  0.674  1.0
  Cu  Cu9  1  0.325  0.055  0.674  1.0
  Cu  Cu10  1  0.668  0.723  0.322  1.0
  Cu  Cu11  1  0.168  0.955  0.322  1.0
  Te  Te12  1  0.822  0.424  0.422  1.0
  Te  Te13  1  0.322  0.154  0.422  1.0
  Te  Te14  1  0.341  0.667  0.416  1.0
  Te  Te15  1  0.841  0.917  0.416  1.0
  Te  Te16  1  0.002  0.483  0.756  1.0
  Te  Te17  1  0.502  0.762  0.756  1.0
  Te  Te18  1  0.675  0.335  0.073  1.0
  Te  Te19  1  0.175  0.591  0.073  1.0
  Se  Se20  1  0.506  0.239  0.754  1.0
  Se  Se21  1  0.006  0.007  0.754  1.0
  Se  Se22  1  0.173  0.081  0.084  1.0
  Se  Se23  1  0.673  0.835  0.084  1.0
[/CIF]
.