data_In5Br4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   93.91
_cell_angle_beta   93.91
_cell_angle_gamma   149.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In5Br4
_chemical_formula_sum   'In5 Br4'
_cell_volume   312.6
_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
  In  In4  1  0.0  0.0  0.0  1.0
  In  In5  1  0.96  0.04  0.25  1.0
  In  In6  1  0.04  0.96  0.25  1.0
  In  In7  1  0.85  0.85  0.0  1.0
  In  In8  1  0.04  0.04  0.25  1.0
  Br  Br0  1  0.0  0.55  0.0  1.0
  Br  Br1  1  0.0  0.23  0.0  1.0
  Br  Br2  1  0.23  0.0  0.0  1.0
  Br  Br3  1  0.55  0.0  0.0  1.0

data_In5Br4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   16.66
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In5Br4
_chemical_formula_sum   'In10 Br8'
_cell_volume   625.21
_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
  In  In0  4  0.25  0.04  0.25  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.15  0.0  0.0  1.0
  In  In3  2  0.22  0.0  0.25  1.0
  Br  Br4  4  0.23  0.23  0.0  1.0
  Br  Br5  4  0.39  0.39  0.0  1.0

In In In In In Br Br Br Br
In In In In In Br Br Br Br 0 3 - - o 0 6 o o o 0 7 o o o 1 4 + o o 2 4 o + o 3 6 + + o 3 7 + + o 5 7 o + o 5 6 o o o 5 8 - o o 5 8 o + o 6 8 - o o 7 8 o o o 