data_GaBCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBCl2
_chemical_formula_sum   'Ga1 B1 Cl2'
_cell_volume   85.96
_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
  Ga  Ga3  1  0.48  0.48  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.48  0.75  1.0
  Cl  Cl2  1  0.48  0.0  0.75  1.0

data_GaBCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaBCl2
_chemical_formula_sum   'Ga2 B2 Cl4'
_cell_volume   171.92
_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
  Ga  Ga0  2  0.48  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  4  0.24  0.24  0.75  1.0

Ga B Cl Cl
Ga B Cl Cl 0 2 o o - 0 2 + o - 0 3 o o - 0 3 o + - 1 3 - o - 1 3 o o - 1 2 o - - 1 2 o o - 