data_Ge2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiCl
_chemical_formula_sum   'Ge2 Bi1 Cl1'
_cell_volume   90.54
_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
  Ge  Ge2  1  0.35  0.35  0.35  1.0
  Ge  Ge3  1  0.56  0.56  0.56  1.0
  Bi  Bi0  1  0.78  0.78  0.78  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ge2BiCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   12.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ge2BiCl
_chemical_formula_sum   'Ge6 Bi3 Cl3'
_cell_volume   271.63
_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
  Ge  Ge0  3  0.0  0.0  0.44  1.0
  Ge  Ge1  3  0.0  0.0  0.65  1.0
  Bi  Bi2  3  0.0  0.0  0.22  1.0
  Cl  Cl3  3  0.0  0.0  -0.0  1.0

Ge Ge Bi Cl
Ge2BiCl crystallizes in the trigonal R3m space group. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Ge(2) and three equivalent Cl(1) atoms. The Ge(1)-Ge(2) bond length is 2.69 Å. All Ge(1)-Cl(1) bond lengths are 2.91 Å. In the second Ge site, Ge(2) is bonded in a 5-coordinate geometry to one Ge(1) and four equivalent Bi(1) atoms. There is one shorter (2.69 Å) and three longer (3.24 Å) Ge(2)-Bi(1) bond lengths. Bi(1) is bonded in a distorted single-bond geometry to four equivalent Ge(2) and one Cl(1) atom. The Bi(1)-Cl(1) bond length is 2.69 Å. Cl(1) is bonded in a 1-coordinate geometry to three equivalent Ge(1) and one Bi(1) atom.