data_FeGeCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGeCl4
_chemical_formula_sum   'Fe1 Ge1 Cl4'
_cell_volume   136.63
_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
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.04  0.04  0.04  1.0
  Cl  Cl0  1  0.06  0.06  0.12  1.0
  Cl  Cl1  1  0.06  0.12  0.06  1.0
  Cl  Cl2  1  0.12  0.06  0.06  1.0
  Cl  Cl3  1  0.12  0.12  0.12  1.0

data_FeGeCl4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   14.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   FeGeCl4
_chemical_formula_sum   'Fe3 Ge3 Cl12'
_cell_volume   409.88
_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
  Fe  Fe0  3  0.0  0.0  0.0  1.0
  Ge  Ge1  3  0.0  0.0  0.96  1.0
  Cl  Cl2  9  0.02  0.04  0.92  1.0
  Cl  Cl3  3  0.0  0.0  0.88  1.0

Fe Ge Cl Cl Cl Cl
Fe Ge Cl Cl Cl Cl 0 1 o o o 1 4 o o o 1 3 o o o 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
FeGeCl4 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three FeGeCl4 clusters. Fe(1) is bonded in a single-bond geometry to one Ge(1) atom. The Fe(1)-Ge(1) bond length is 0.62 Å. Ge(1) is bonded in a 4-coordinate geometry to one Fe(1) and three equivalent Cl(1) atoms. All Ge(1)-Cl(1) bond lengths are 0.52 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a 3-coordinate geometry to three equivalent Cl(1) atoms. All Cl(2)-Cl(1) bond lengths are 0.60 Å. In the second Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Ge(1), one Cl(2), and two equivalent Cl(1) atoms. Both Cl(1)-Cl(1) bond lengths are 0.35 Å.