data_GeBrF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBrF3
_chemical_formula_sum   'Ge1 Br1 F3'
_cell_volume   76.35
_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  Ge4  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.12  0.12  0.12  1.0
  F  F1  1  0.12  0.0  0.0  1.0
  F  F2  1  0.0  0.12  0.0  1.0
  F  F3  1  0.0  0.0  0.12  1.0

data_GeBrF3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GeBrF3
_chemical_formula_sum   'Ge3 Br3 F9'
_cell_volume   229.06
_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
  Br  Br1  3  0.0  0.0  0.12  1.0
  F  F2  9  0.08  0.04  0.04  1.0

Ge Br F F F
GeBrF3 is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three GeBrF3 clusters. Ge(1) is bonded in a distorted T-shaped geometry to three equivalent F(1) atoms. All Ge(1)-F(1) bond lengths are 0.51 Å. Br(1) is bonded in a 3-coordinate geometry to three equivalent F(1) atoms. All Br(1)-F(1) bond lengths are 0.73 Å. F(1) is bonded in a distorted single-bond geometry to one Ge(1) and one Br(1) atom.