data_GeB2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Br
_chemical_formula_sum   'Ge1 B2 Br1'
_cell_volume   73.51
_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  Ge3  1  0.0  0.0  0.74  1.0
  B  B0  1  0.6  0.0  0.15  1.0
  B  B1  1  0.0  0.0  0.14  1.0
  Br  Br2  1  0.6  0.0  0.84  1.0

data_GeB2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.3
_cell_length_b   5.61
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeB2Br
_chemical_formula_sum   'Ge2 B4 Br2'
_cell_volume   147.12
_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  0.26  1.0
  B  B1  2  0.0  0.0  0.86  1.0
  B  B2  2  0.4  0.0  0.85  1.0
  Br  Br3  2  0.4  0.0  0.16  1.0

Ge B B Br
Ge B B Br 0 3 - o o 1 2 + o o 