[CIF]
data_Ti2(InBr3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55998434
_cell_length_b   7.55998434
_cell_length_c   18.35925972
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2(InBr3)3
_chemical_formula_sum   'Ti4 In6 Br18'
_cell_volume   908.71477382
_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
  Ti  Ti0  1  -0.00000000  4.36475899  15.32913348  1
  Ti  Ti1  1  -0.00000000  4.36475899  12.16624024  1
  Ti  Ti2  1  3.77999217  2.18237950  2.98661038  1
  Ti  Ti3  1  3.77999217  2.18237950  6.14950362  1
  In  In4  1  -0.00000000  4.36475899  7.88170419  1
  In  In5  1  -0.00000000  4.36475899  1.37491064  1
  In  In6  1  3.77999217  2.18237950  17.06133405  1
  In  In7  1  3.77999217  2.18237950  10.55454050  1
  In  In8  1  0.00000000  0.00000000  4.91477878  1
  In  In9  1  0.00000000  0.00000000  14.09440864  1
  Br  Br10  1  -1.81623075  5.41336030  10.79684876  1
  Br  Br11  1  -1.83074149  5.42173809  16.72553474  1
  Br  Br12  1  -1.84891413  3.29728792  13.76867315  1
  Br  Br13  1  0.00000000  2.25080080  16.72553474  1
  Br  Br14  1  0.00000000  2.26755637  10.79684876  1
  Br  Br15  1  -0.00000000  6.49970113  13.76867315  1
  Br  Br16  1  1.84891413  3.29728792  13.76867315  1
  Br  Br17  1  1.83074149  5.42173809  16.72553474  1
  Br  Br18  1  1.81623075  5.41336030  10.79684876  1
  Br  Br19  1  1.94925067  1.12540040  7.54590488  1
  Br  Br20  1  1.96376142  1.13377819  1.61721890  1
  Br  Br21  1  1.93107804  3.24985057  4.58904329  1
  Br  Br22  1  3.77999217  4.27958212  1.61721890  1
  Br  Br23  1  3.77999217  0.04743736  4.58904329  1
  Br  Br24  1  3.77999217  4.29633769  7.54590488  1
  Br  Br25  1  5.62890630  3.24985057  4.58904329  1
  Br  Br26  1  5.59622292  1.13377819  1.61721890  1
  Br  Br27  1  5.61073366  1.12540040  7.54590488  1
[/CIF]
