data_GeMoBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   122.0
_cell_angle_beta   122.0
_cell_angle_gamma   86.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoBr2
_chemical_formula_sum   'Ge1 Mo1 Br2'
_cell_volume   79.01
_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  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.54  1.0
  Br  Br0  1  0.0  0.36  0.77  1.0
  Br  Br1  1  0.36  0.0  0.77  1.0

data_GeMoBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   133.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeMoBr2
_chemical_formula_sum   'Ge2 Mo2 Br4'
_cell_volume   158.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Ge0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.54  1.0
  Br  Br2  4  0.32  0.32  0.41  1.0

Ge Mo Br Br
Ge Mo Br Br 0 2 o o - 0 2 o - - 0 3 - o - 0 3 o o - 0 1 o o - 0 1 o o o 1 2 o o o 1 3 o o o 
MoGeBr2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a water-like geometry to two equivalent Ge(1) and two equivalent Br(1) atoms. There is one shorter (2.22 Å) and one longer (2.65 Å) Mo(1)-Ge(1) bond length. Both Mo(1)-Br(1) bond lengths are 1.50 Å. Ge(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1) and four equivalent Br(1) atoms. There are two shorter (2.52 Å) and two longer (2.70 Å) Ge(1)-Br(1) bond lengths. Br(1) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Ge(1) atoms.