[CIF]
data_InSeI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.27928707
_cell_length_b   14.27928707
_cell_length_c   14.27928707
_cell_angle_alpha   97.43533439
_cell_angle_beta   97.43533439
_cell_angle_gamma   137.83251939
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSeI
_chemical_formula_sum   'In16 Se16 I16'
_cell_volume   1823.65964266
_cell_formula_units_Z   16
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
  I  I0  1  -0.45512503  2.69600490  0.54466498  1
  I  I1  1  6.76301021  9.91191998  -0.84516781  1
  I  I2  1  6.72504010  8.96591997  4.59205202  1
  I  I3  1  0.49087498  2.65803479  5.98188481  1
  I  I4  1  8.93017002  6.76301021  0.84516781  1
  I  I5  1  -6.72504010  9.87617003  4.59205202  1
  I  I6  1  2.65803479  -0.49087498  4.29154919  1
  I  I7  1  0.45512503  16.14608510  0.54466498  1
  I  I8  1  -0.45512503  12.11704990  2.02369352  1
  I  I9  1  6.76301021  0.49087498  3.41352631  1
  I  I10  1  -2.69600490  8.96591997  3.11302348  1
  I  I11  1  9.91191998  2.65803479  1.72319069  1
  I  I12  1  8.93017002  -2.65803479  1.72319069  1
  I  I13  1  2.69600490  9.87617003  3.11302348  1
  I  I14  1  12.07907979  -0.49087498  3.41352631  1
  I  I15  1  0.45512503  6.72504010  2.02369352  1
  In  In16  1  13.16160987  -2.81349023  2.53990209  1
  In  In17  1  2.63263490  5.32294478  1.19662501  1
  In  In18  1  5.32294478  6.78841010  3.76498351  1
  In  In19  1  2.81349023  3.74056487  5.10826059  1
  In  In20  1  6.60755477  5.68048013  -0.02845641  1
  In  In21  1  4.09810022  2.63263490  -1.37173349  1
  In  In22  1  6.78841010  4.09810022  6.33334201  1
  In  In23  1  5.68048013  2.81349023  2.53990209  1
  In  In24  1  3.74056487  -2.81349023  5.16517341  1
  In  In25  1  2.63263490  14.74398978  1.37173349  1
  In  In26  1  -4.09810022  6.78841010  3.94009199  1
  In  In27  1  12.23453523  3.74056487  2.59681491  1
  In  In28  1  6.60755477  -3.74056487  2.59681491  1
  In  In29  1  13.51914522  2.63263490  -1.19662501  1
  In  In30  1  6.78841010  -5.32294478  6.50845049  1
  In  In31  1  5.68048013  12.23453523  0.02845641  1
  Se  Se32  1  3.03549490  6.37905476  5.10912905  1
  Se  Se33  1  4.66007488  7.03172469  1.20750509  1
  Se  Se34  1  11.81036531  -4.76097012  3.77586359  1
  Se  Se35  1  6.37905476  6.38555010  -2.59594645  1
  Se  Se36  1  3.04199024  3.03549490  2.54077055  1
  Se  Se37  1  7.03172469  4.76097012  3.77586359  1
  Se  Se38  1  4.76097012  2.38932031  6.34422209  1
  Se  Se39  1  6.38555010  3.04199024  -0.02758795  1
  Se  Se40  1  12.45653990  6.37905476  2.59594645  1
  Se  Se41  1  4.66007488  -2.38932031  1.36085341  1
  Se  Se42  1  11.81036531  4.66007488  -1.20750509  1
  Se  Se43  1  6.37905476  -3.03549490  5.16430495  1
  Se  Se44  1  3.04199024  12.45653990  0.02758795  1
  Se  Se45  1  -2.38932031  4.76097012  3.92921191  1
  Se  Se46  1  14.18201512  2.38932031  1.36085341  1
  Se  Se47  1  -3.03549490  3.04199024  7.73266345  1
[/CIF]
