data_InBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.34
_cell_length_b   10.34
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   156.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBr2
_chemical_formula_sum   'In2 Br4'
_cell_volume   191.54
_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
  In  In4  1  0.09  0.8  0.13  1.0
  In  In5  1  0.09  0.2  0.39  1.0
  Br  Br0  1  0.09  0.65  0.13  1.0
  Br  Br1  1  0.09  0.35  0.39  1.0
  Br  Br2  1  0.09  0.04  0.13  1.0
  Br  Br3  1  0.09  0.96  0.39  1.0

data_InBr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.18
_cell_length_b   4.53
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InBr2
_chemical_formula_sum   'In2 Br4'
_cell_volume   191.54
_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
  In  In0  2  0.2  0.37  0.7  1.0
  Br  Br1  2  0.04  0.63  0.54  1.0
  Br  Br2  2  0.35  0.37  0.85  1.0

In In Br Br Br Br