data_Sn2GeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2GeCl
_chemical_formula_sum   'Sn2 Ge1 Cl1'
_cell_volume   95.23
_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  0.62  0.62  0.62  1.0
  Sn  Sn3  1  0.44  0.44  0.44  1.0
  Ge  Ge1  1  0.81  0.81  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sn2GeCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sn2GeCl
_chemical_formula_sum   'Sn6 Ge3 Cl3'
_cell_volume   285.68
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.38  1.0
  Sn  Sn1  3  0.0  0.0  0.56  1.0
  Ge  Ge2  3  0.0  0.0  0.19  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Sn Sn Ge Cl
Sn2GeCl crystallizes in the trigonal R3m space group. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Sn(2), one Ge(1), and three equivalent Cl(1) atoms to form distorted corner-sharing SnSnGeCl3 trigonal bipyramids. The Sn(1)-Sn(2) bond length is 2.36 Å. The Sn(1)-Ge(1) bond length is 2.36 Å. All Sn(1)-Cl(1) bond lengths are 3.01 Å. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Sn(1) and three equivalent Ge(1) atoms. All Sn(2)-Ge(1) bond lengths are 3.01 Å. Ge(1) is bonded in a 1-coordinate geometry to one Sn(1), three equivalent Sn(2), and one Cl(1) atom. The Ge(1)-Cl(1) bond length is 2.36 Å. Cl(1) is bonded in a distorted single-bond geometry to three equivalent Sn(1) and one Ge(1) atom.