data_GaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72
_cell_length_b   3.79
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCl2
_chemical_formula_sum   'Ga4 Cl8'
_cell_volume   301.55
_cell_formula_units_Z   4
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  Ga8  1  0.79  0.84  0.32  1.0
  Ga  Ga9  1  0.58  0.95  0.61  1.0
  Ga  Ga10  1  0.15  0.84  0.82  1.0
  Ga  Ga11  1  0.94  0.95  0.1  1.0
  Cl  Cl0  1  0.65  0.84  0.43  1.0
  Cl  Cl1  1  0.43  0.95  0.15  1.0
  Cl  Cl2  1  0.29  0.84  0.28  1.0
  Cl  Cl3  1  0.07  0.95  0.99  1.0
  Cl  Cl4  1  0.26  0.84  0.33  1.0
  Cl  Cl5  1  0.82  0.95  0.62  1.0
  Cl  Cl6  1  0.9  0.84  0.81  1.0
  Cl  Cl7  1  0.46  0.95  0.1  1.0

data_GaCl2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.79
_cell_length_b   7.42
_cell_length_c   10.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaCl2
_chemical_formula_sum   'Ga4 Cl8'
_cell_volume   301.55
_cell_formula_units_Z   4
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  0.45  0.11  0.42  1.0
  Ga  Ga1  2  0.45  0.6  0.79  1.0
  Cl  Cl2  2  0.45  0.12  0.9  1.0
  Cl  Cl3  2  0.45  0.22  0.29  1.0
  Cl  Cl4  2  0.45  0.07  0.93  1.0
  Cl  Cl5  2  0.45  0.6  0.54  1.0

Ga Ga Ga Ga Cl Cl Cl Cl Cl Cl Cl Cl
Ga Ga Ga Ga Cl Cl Cl Cl Cl Cl Cl Cl 0 4 o o o 1 4 o o o 2 7 o o o 3 7 + o - 5 11 o o o 6 8 o o o 9 10 o o o 