The material structure described by Ba2Ge(TeSe)2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Te(2), three equivalent Te(1), and four equivalent Se(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Te(1), three equivalent Te(2), and four equivalent Se(1) atoms. Ge(1) is bonded in a distorted tetrahedral geometry to one Te(1), one Te(2), and two equivalent Se(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ba(2), three equivalent Ba(1), and one Ge(1) atom to form distorted TeBa4Ge trigonal bipyramids that share corners with ten equivalent Se(1)Ba4Ge square pyramids, corners with two equivalent Te(1)Ba4Ge trigonal bipyramids, edges with four equivalent Se(1)Ba4Ge square pyramids, and edges with two equivalent Te(1)Ba4Ge trigonal bipyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), and one Ge(1) atom. Se(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Ge(1) atom to form distorted SeBa4Ge square pyramids that share corners with four equivalent Se(1)Ba4Ge square pyramids, corners with five equivalent Te(1)Ba4Ge trigonal bipyramids, edges with three equivalent Se(1)Ba4Ge square pyramids, edges with two equivalent Te(1)Ba4Ge trigonal bipyramids, and  a faceface with one Se(1)Ba4Ge square pyramid. is represented by the CIF file [CIF]
data_Ba2Ge(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.288
_cell_length_b   7.564
_cell_length_c   9.494
_cell_angle_alpha   71.545
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.411
_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
  Ba  Ba0  1  0.250  0.762  0.060  1.0
  Ba  Ba1  1  0.250  0.786  0.551  1.0
  Ba  Ba2  1  0.750  0.214  0.449  1.0
  Ba  Ba3  1  0.750  0.238  0.940  1.0
  Ge  Ge4  1  0.250  0.211  0.703  1.0
  Ge  Ge5  1  0.750  0.789  0.297  1.0
  Te  Te6  1  0.250  0.402  0.889  1.0
  Te  Te7  1  0.250  0.379  0.418  1.0
  Te  Te8  1  0.750  0.621  0.582  1.0
  Te  Te9  1  0.750  0.598  0.111  1.0
  Se  Se10  1  0.505  0.002  0.760  1.0
  Se  Se11  1  0.005  0.998  0.240  1.0
  Se  Se12  1  0.495  0.998  0.240  1.0
  Se  Se13  1  0.995  0.002  0.760  1.0
[/CIF]
.
The material structure described by Ba2Ge(TeSe)2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one Te(2), three equivalent Te(1), and four equivalent Se(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Te(1), three equivalent Te(2), and four equivalent Se(1) atoms. Ge(1) is bonded in a distorted tetrahedral geometry to one Te(1), one Te(2), and two equivalent Se(1) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ba(2), three equivalent Ba(1), and one Ge(1) atom to form distorted TeBa4Ge trigonal bipyramids that share corners with ten equivalent Se(1)Ba4Ge square pyramids, corners with two equivalent Te(1)Ba4Ge trigonal bipyramids, edges with four equivalent Se(1)Ba4Ge square pyramids, and edges with two equivalent Te(1)Ba4Ge trigonal bipyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Ba(1), three equivalent Ba(2), and one Ge(1) atom. Se(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Ge(1) atom to form distorted SeBa4Ge square pyramids that share corners with four equivalent Se(1)Ba4Ge square pyramids, corners with five equivalent Te(1)Ba4Ge trigonal bipyramids, edges with three equivalent Se(1)Ba4Ge square pyramids, edges with two equivalent Te(1)Ba4Ge trigonal bipyramids, and  a faceface with one Se(1)Ba4Ge square pyramid. is represented by the CIF file [CIF]
data_Ba2Ge(TeSe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.288
_cell_length_b   7.564
_cell_length_c   9.494
_cell_angle_alpha   71.545
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.411
_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
  Ba  Ba0  1  0.250  0.762  0.060  1.0
  Ba  Ba1  1  0.250  0.786  0.551  1.0
  Ba  Ba2  1  0.750  0.214  0.449  1.0
  Ba  Ba3  1  0.750  0.238  0.940  1.0
  Ge  Ge4  1  0.250  0.211  0.703  1.0
  Ge  Ge5  1  0.750  0.789  0.297  1.0
  Te  Te6  1  0.250  0.402  0.889  1.0
  Te  Te7  1  0.250  0.379  0.418  1.0
  Te  Te8  1  0.750  0.621  0.582  1.0
  Te  Te9  1  0.750  0.598  0.111  1.0
  Se  Se10  1  0.505  0.002  0.760  1.0
  Se  Se11  1  0.005  0.998  0.240  1.0
  Se  Se12  1  0.495  0.998  0.240  1.0
  Se  Se13  1  0.995  0.002  0.760  1.0
[/CIF]
.