data_Ga3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18
_cell_length_b   8.18
_cell_length_c   8.18
_cell_angle_alpha   48.31
_cell_angle_beta   48.31
_cell_angle_gamma   48.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Br2
_chemical_formula_sum   'Ga6 Br4'
_cell_volume   279.48
_cell_formula_units_Z   2
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
  Ga  Ga4  1  0.96  0.67  0.61  1.0
  Ga  Ga5  1  0.3  0.39  0.61  1.0
  Ga  Ga6  1  0.74  0.93  0.61  1.0
  Ga  Ga7  1  0.26  0.07  0.01  1.0
  Ga  Ga8  1  0.7  0.61  0.01  1.0
  Ga  Ga9  1  0.04  0.33  0.01  1.0
  Br  Br0  1  0.0  0.0  0.78  1.0
  Br  Br1  1  0.0  0.0  0.65  1.0
  Br  Br2  1  0.0  0.0  0.97  1.0
  Br  Br3  1  0.0  0.0  0.84  1.0

data_Ga3Br2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   8.18
_cell_angle_alpha   65.85
_cell_angle_beta   65.85
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga3Br2
_chemical_formula_sum   'Ga6 Br4'
_cell_volume   279.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ga  Ga0  2  0.07  0.2  0.97  1.0
  Ga  Ga1  2  0.33  0.2  0.93  1.0
  Ga  Ga2  2  0.39  0.8  1.0  1.0
  Br  Br3  2  0.0  0.03  0.47  1.0
  Br  Br4  2  0.0  0.16  0.34  1.0

Ga Ga Ga Ga Ga Ga Br Br Br Br
Ga Ga Ga Ga Ga Ga Br Br Br Br 0 2 o o o 0 1 + o o 0 4 o o + 1 5 o o + 1 3 o o + 2 4 o o + 3 5 o o o 4 5 + o o 6 9 o o o 6 7 o o o 8 9 o o o 