data_GeB2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Br
_chemical_formula_sum   'Ge1 B2 Br1'
_cell_volume   65.12
_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  0.0  1.0
  B  B0  1  0.63  0.0  0.34  1.0
  B  B1  1  0.63  0.0  0.08  1.0
  Br  Br2  1  0.0  0.0  0.21  1.0

data_GeB2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.51
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeB2Br
_chemical_formula_sum   'Ge1 B2 Br1'
_cell_volume   65.12
_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  Ge0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.0  0.63  0.08  1.0
  B  B2  1  0.0  0.63  0.34  1.0
  Br  Br3  1  0.0  0.0  0.21  1.0

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