data_Sn2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   139.14
_cell_angle_beta   139.14
_cell_angle_gamma   59.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeAs
_chemical_formula_sum   'Sn2 Ge1 As1'
_cell_volume   94.96
_cell_formula_units_Z   1
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
  Sn  Sn2  1  0.12  0.0  0.64  1.0
  Sn  Sn3  1  0.0  0.0  0.28  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.12  0.64  1.0

data_Sn2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   6.07
_cell_angle_alpha   110.43
_cell_angle_beta   110.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeAs
_chemical_formula_sum   'Sn2 Ge1 As1'
_cell_volume   94.96
_cell_formula_units_Z   1
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
  Sn  Sn0  1  0.28  0.28  0.28  1.0
  Sn  Sn1  1  0.64  0.52  0.52  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.52  0.64  0.52  1.0

Sn Sn Ge As
Sn2GeAs is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sn2GeAs cluster. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Sn(2) and one As(1) atom. The Sn(1)-Sn(2) bond length is 1.70 Å. The Sn(1)-As(1) bond length is 0.72 Å. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one Sn(1), one Ge(1), and one As(1) atom. The Sn(2)-Ge(1) bond length is 1.71 Å. The Sn(2)-As(1) bond length is 1.70 Å. Ge(1) is bonded in a distorted single-bond geometry to one Sn(2) atom. As(1) is bonded in a distorted single-bond geometry to one Sn(1) and one Sn(2) atom.