The structure described by Na2In2GeSe6 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one Se(2), one Se(3), one Se(4), one Se(5), and one Se(6) atom to form distorted NaSe5 trigonal bipyramids that share  a cornercorner with one Ge(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, corners with four equivalent In(2)Se4 tetrahedra, corners with three equivalent Na(2)Se4 trigonal pyramids, and  an edgeedge with one Ge(1)Se4 tetrahedra. In the second Na site, Na(2) is bonded to one Se(1), one Se(3), one Se(4), and one Se(5) atom to form NaSe4 trigonal pyramids that share corners with two equivalent Ge(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, corners with three equivalent In(2)Se4 tetrahedra, and corners with three equivalent Na(1)Se5 trigonal bipyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form InSe4 tetrahedra that share corners with two equivalent In(2)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, corners with three equivalent Na(1)Se5 trigonal bipyramids, and corners with three equivalent Na(2)Se4 trigonal pyramids. In the second In site, In(2) is bonded to one Se(3), one Se(4), one Se(5), and one Se(6) atom to form InSe4 tetrahedra that share corners with two equivalent In(1)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, corners with four equivalent Na(1)Se5 trigonal bipyramids, and corners with three equivalent Na(2)Se4 trigonal pyramids. Ge(1) is bonded to one Se(1), one Se(2), one Se(5), and one Se(6) atom to form GeSe4 tetrahedra that share corners with two equivalent In(1)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra,  a cornercorner with one Na(1)Se5 trigonal bipyramid, corners with two equivalent Na(2)Se4 trigonal pyramids, and  an edgeedge with one Na(1)Se5 trigonal bipyramid. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Na(2), one In(1), and one Ge(1) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Na(1), one In(1), and one Ge(1) atom. In the third Se site, Se(3) is bonded to one Na(1), one Na(2), one In(1), and one In(2) atom to form SeNa2In2 tetrahedra that share corners with four equivalent Se(4)Na2In2 tetrahedra and corners with three equivalent Se(5)Na2InGe trigonal pyramids. In the fourth Se site, Se(4) is bonded to one Na(1), one Na(2), one In(1), and one In(2) atom to form SeNa2In2 tetrahedra that share corners with four equivalent Se(3)Na2In2 tetrahedra and corners with three equivalent Se(5)Na2InGe trigonal pyramids. In the fifth Se site, Se(5) is bonded to one Na(1), one Na(2), one In(2), and one Ge(1) atom to form distorted corner-sharing SeNa2InGe trigonal pyramids. In the sixth Se site, Se(6) is bonded in a distorted T-shaped geometry to one Na(1), one In(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Na2In2GeSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.706
_cell_length_b   7.706
_cell_length_c   13.069
_cell_angle_alpha   74.237
_cell_angle_beta   74.237
_cell_angle_gamma   65.192
_symmetry_Int_Tables_number   1
_cell_volume   666.717
_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
  Na  Na0  1  0.185  0.334  0.009  1.0
  Na  Na1  1  0.334  0.185  0.509  1.0
  Na  Na2  1  0.359  0.726  0.169  1.0
  Na  Na3  1  0.726  0.359  0.669  1.0
  In  In4  1  0.845  0.977  0.012  1.0
  In  In5  1  0.977  0.845  0.512  1.0
  In  In6  1  0.651  0.804  0.817  1.0
  In  In7  1  0.804  0.651  0.317  1.0
  Ge  Ge8  1  0.196  0.748  0.762  1.0
  Ge  Ge9  1  0.748  0.196  0.262  1.0
  Se  Se10  1  0.045  0.055  0.817  1.0
  Se  Se11  1  0.055  0.045  0.317  1.0
  Se  Se12  1  0.790  0.302  0.071  1.0
  Se  Se13  1  0.302  0.790  0.571  1.0
  Se  Se14  1  0.042  0.654  0.131  1.0
  Se  Se15  1  0.654  0.042  0.631  1.0
  Se  Se16  1  0.522  0.968  0.988  1.0
  Se  Se17  1  0.968  0.522  0.488  1.0
  Se  Se18  1  0.472  0.558  0.849  1.0
  Se  Se19  1  0.558  0.472  0.349  1.0
  Se  Se20  1  0.012  0.545  0.808  1.0
  Se  Se21  1  0.545  0.012  0.308  1.0
[/CIF]
.
The structure described by Na2In2GeSe6 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one Se(2), one Se(3), one Se(4), one Se(5), and one Se(6) atom to form distorted NaSe5 trigonal bipyramids that share  a cornercorner with one Ge(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, corners with four equivalent In(2)Se4 tetrahedra, corners with three equivalent Na(2)Se4 trigonal pyramids, and  an edgeedge with one Ge(1)Se4 tetrahedra. In the second Na site, Na(2) is bonded to one Se(1), one Se(3), one Se(4), and one Se(5) atom to form NaSe4 trigonal pyramids that share corners with two equivalent Ge(1)Se4 tetrahedra, corners with three equivalent In(1)Se4 tetrahedra, corners with three equivalent In(2)Se4 tetrahedra, and corners with three equivalent Na(1)Se5 trigonal bipyramids. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form InSe4 tetrahedra that share corners with two equivalent In(2)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, corners with three equivalent Na(1)Se5 trigonal bipyramids, and corners with three equivalent Na(2)Se4 trigonal pyramids. In the second In site, In(2) is bonded to one Se(3), one Se(4), one Se(5), and one Se(6) atom to form InSe4 tetrahedra that share corners with two equivalent In(1)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, corners with four equivalent Na(1)Se5 trigonal bipyramids, and corners with three equivalent Na(2)Se4 trigonal pyramids. Ge(1) is bonded to one Se(1), one Se(2), one Se(5), and one Se(6) atom to form GeSe4 tetrahedra that share corners with two equivalent In(1)Se4 tetrahedra, corners with two equivalent In(2)Se4 tetrahedra,  a cornercorner with one Na(1)Se5 trigonal bipyramid, corners with two equivalent Na(2)Se4 trigonal pyramids, and  an edgeedge with one Na(1)Se5 trigonal bipyramid. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one Na(2), one In(1), and one Ge(1) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one Na(1), one In(1), and one Ge(1) atom. In the third Se site, Se(3) is bonded to one Na(1), one Na(2), one In(1), and one In(2) atom to form SeNa2In2 tetrahedra that share corners with four equivalent Se(4)Na2In2 tetrahedra and corners with three equivalent Se(5)Na2InGe trigonal pyramids. In the fourth Se site, Se(4) is bonded to one Na(1), one Na(2), one In(1), and one In(2) atom to form SeNa2In2 tetrahedra that share corners with four equivalent Se(3)Na2In2 tetrahedra and corners with three equivalent Se(5)Na2InGe trigonal pyramids. In the fifth Se site, Se(5) is bonded to one Na(1), one Na(2), one In(2), and one Ge(1) atom to form distorted corner-sharing SeNa2InGe trigonal pyramids. In the sixth Se site, Se(6) is bonded in a distorted T-shaped geometry to one Na(1), one In(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Na2In2GeSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.706
_cell_length_b   7.706
_cell_length_c   13.069
_cell_angle_alpha   74.237
_cell_angle_beta   74.237
_cell_angle_gamma   65.192
_symmetry_Int_Tables_number   1
_cell_volume   666.717
_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
  Na  Na0  1  0.185  0.334  0.009  1.0
  Na  Na1  1  0.334  0.185  0.509  1.0
  Na  Na2  1  0.359  0.726  0.169  1.0
  Na  Na3  1  0.726  0.359  0.669  1.0
  In  In4  1  0.845  0.977  0.012  1.0
  In  In5  1  0.977  0.845  0.512  1.0
  In  In6  1  0.651  0.804  0.817  1.0
  In  In7  1  0.804  0.651  0.317  1.0
  Ge  Ge8  1  0.196  0.748  0.762  1.0
  Ge  Ge9  1  0.748  0.196  0.262  1.0
  Se  Se10  1  0.045  0.055  0.817  1.0
  Se  Se11  1  0.055  0.045  0.317  1.0
  Se  Se12  1  0.790  0.302  0.071  1.0
  Se  Se13  1  0.302  0.790  0.571  1.0
  Se  Se14  1  0.042  0.654  0.131  1.0
  Se  Se15  1  0.654  0.042  0.631  1.0
  Se  Se16  1  0.522  0.968  0.988  1.0
  Se  Se17  1  0.968  0.522  0.488  1.0
  Se  Se18  1  0.472  0.558  0.849  1.0
  Se  Se19  1  0.558  0.472  0.349  1.0
  Se  Se20  1  0.012  0.545  0.808  1.0
  Se  Se21  1  0.545  0.012  0.308  1.0
[/CIF]
.