data_Ga2I3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   8.81
_cell_length_c   13.71
_cell_angle_alpha   90.0
_cell_angle_beta   123.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2I3
_chemical_formula_sum   'Ga8 I12'
_cell_volume   785.09
_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  Ga0  1  0.46  0.26  0.08  1.0
  Ga  Ga1  1  0.97  0.68  0.83  1.0
  Ga  Ga2  1  0.56  0.28  0.4  1.0
  Ga  Ga3  1  0.72  0.96  0.82  1.0
  Ga  Ga4  1  0.55  0.86  0.66  1.0
  Ga  Ga5  1  0.3  0.13  0.66  1.0
  Ga  Ga6  1  0.71  0.54  0.08  1.0
  Ga  Ga7  1  0.81  0.55  0.41  1.0
  I  I8  1  0.07  0.08  0.44  1.0
  I  I9  1  0.47  0.48  0.79  1.0
  I  I10  1  1.0  0.65  0.24  1.0
  I  I11  1  0.26  0.76  0.98  1.0
  I  I12  1  0.81  0.33  0.7  1.0
  I  I13  1  0.62  0.91  0.56  1.0
  I  I14  1  0.21  0.74  0.05  1.0
  I  I15  1  0.91  0.5  0.67  1.0
  I  I16  1  0.36  0.32  0.81  1.0
  I  I17  1  0.28  0.16  0.25  1.0
  I  I18  1  0.02  0.06  0.51  1.0
  I  I19  1  0.65  0.91  0.93  1.0

data_Ga2I3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.76
_cell_length_b   8.81
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   91.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga2I3
_chemical_formula_sum   'Ga8 I12'
_cell_volume   785.09
_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  0.01  0.36  0.34  1.0
  Ga  Ga1  2  0.23  0.37  0.66  1.0
  Ga  Ga2  2  0.25  0.78  0.08  1.0
  Ga  Ga3  2  0.49  0.05  0.08  1.0
  I  I4  2  0.12  0.85  0.24  1.0
  I  I5  2  0.16  0.59  0.93  1.0
  I  I6  2  0.23  0.83  0.3  1.0
  I  I7  2  0.29  0.42  0.95  1.0
  I  I8  2  0.33  1.0  0.81  1.0
  I  I9  2  0.37  0.26  0.51  1.0

Ga Ga Ga Ga Ga Ga Ga Ga I I I I I I I I I I I I