data_GeMoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeMoBr
_chemical_formula_sum   'Ge1 Mo1 Br1'
_cell_volume   63.46
_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  Ge1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.17  0.17  0.17  1.0
  Br  Br0  1  0.58  0.58  0.58  1.0

data_GeMoBr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   10.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GeMoBr
_chemical_formula_sum   'Ge3 Mo3 Br3'
_cell_volume   190.38
_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  0.0  1.0
  Mo  Mo1  3  0.0  0.0  0.83  1.0
  Br  Br2  3  0.0  0.0  0.42  1.0

Ge Mo Br
MoGeBr crystallizes in the trigonal R3m space group. Mo(1) is bonded to one Ge(1) and three equivalent Br(1) atoms to form distorted MoGeBr3 tetrahedra that share corners with three equivalent Ge(1)MoBr3 tetrahedra, corners with six equivalent Mo(1)GeBr3 tetrahedra, and edges with three equivalent Ge(1)MoBr3 tetrahedra. The Mo(1)-Ge(1) bond length is 1.82 Å. All Mo(1)-Br(1) bond lengths are 2.74 Å. Ge(1) is bonded to one Mo(1) and three equivalent Br(1) atoms to form distorted GeMoBr3 tetrahedra that share corners with three equivalent Mo(1)GeBr3 tetrahedra, corners with six equivalent Ge(1)MoBr3 tetrahedra, and edges with three equivalent Mo(1)GeBr3 tetrahedra. All Ge(1)-Br(1) bond lengths are 2.74 Å. Br(1) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Ge(1) atoms.