data_InBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   23.19
_cell_angle_alpha   86.45
_cell_angle_beta   82.89
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBr3
_chemical_formula_sum   'In2 Br6'
_cell_volume   917.39
_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  In6  1  0.1  0.67  0.07  1.0
  In  In7  1  0.76  0.33  0.07  1.0
  Br  Br0  1  0.11  0.0  0.0  1.0
  Br  Br1  1  0.75  0.0  0.14  1.0
  Br  Br2  1  0.81  0.65  0.0  1.0
  Br  Br3  1  0.4  0.65  0.14  1.0
  Br  Br4  1  0.06  0.35  0.14  1.0
  Br  Br5  1  0.46  0.35  0.0  1.0

In In Br Br Br Br Br Br 0 4 - o o 0 6 o o o 0 3 - + o 0 7 o o o 0 5 o o o 0 2 o + o 1 3 o o o 1 7 o o o 1 5 o o o 1 2 + o o 1 4 o o o 1 6 + o o 
data_InBr3
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.78
_cell_length_b   11.75
_cell_length_c   23.19
_cell_angle_alpha   90.0
_cell_angle_beta   97.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   InBr3
_chemical_formula_sum   'In4 Br12'
_cell_volume   1834.78
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.0  0.33  0.5  1.0
  Br  Br1  8  0.2  0.17  0.57  1.0
  Br  Br2  4  0.18  0.5  0.57  1.0

In In Br Br Br Br Br Br