data_image0
_chemical_formula_structural       In2Se2In2Se2In2Se2In2Se2In2Se2In2Se2In2
_chemical_formula_sum              "In14 Se12"
_cell_length_a       7.139286908685208
_cell_length_b       7.137431942575621
_cell_length_c       30.834211089368964
_cell_angle_alpha    90.0
_cell_angle_beta     90.00000000000001
_cell_angle_gamma    120.02211234657956

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  In1       1.0  0.3330349448173124  0.3330006604227766  0.28286252126642286  1.0000
  In  In2       1.0  0.3334248286916781  0.33343556075950714  0.37505103297379905  1.0000
  Se  Se1       1.0  0.6645894706501976  0.6663963564730135  0.2430417466585933  1.0000
  Se  Se2       1.0  0.6585760983153957  0.6668553309171903  0.4193987299535172  1.0000
  In  In3       1.0  0.33525803423339406  0.335040479843389  0.7170999370119612  1.0000
  In  In4       1.0  0.3350440439416693  0.33472138810545055  0.6249080829132488  1.0000
  Se  Se3       1.0  0.6665569829051083  0.3331705465792326  0.756987907760921  1.0000
  Se  Se4       1.0  0.6596392979555642  0.32628334427489486  0.5804635772299985  1.0000
  In  In5       1.0  0.6663086358570083  0.9996945545982368  0.28284595071112245  1.0000
  In  In6       1.0  0.6666978387811481  0.00010857470047074474  0.3750563186611652  1.0000
  Se  Se5       1.0  0.9997751319023805  0.3312952053936872  0.2430491763930313  1.0000
  Se  Se6       1.0  0.00019950450716532195  0.3253408197355246  0.41937824556368897  1.0000
  In  In7       1.0  0.6684234781911029  0.0018260831107485289  0.7171164962162333  1.0000
  In  In8       1.0  0.668062909954489  0.0016217163717809856  0.6249009414949276  1.0000
  Se  Se7       1.0  0.0017300090658065312  0.003447249842421644  0.7568872530047152  1.0000
  Se  Se8       1.0  0.0012837104000207795  0.009377937305412427  0.5806361083184244  1.0000
  In  In9       1.0  0.9997106983243687  0.6664098170548097  0.2845512516785316  1.0000
  In  In10      1.0  2.0491190532664123e-05  0.6668011800370404  0.37822949276042844  1.0000
  Se  Se9       1.0  0.3348687342652046  0.00157246766388873  0.2430200953830648  1.0000
  Se  Se10      1.0  0.34168754838262766  0.008414018267117419  0.419414948626943  1.0000
  In  In11      1.0  0.001640053299712502  0.6681939966265531  0.7154161588913042  1.0000
  In  In12      1.0  0.0011494631218562554  0.6676937731821997  0.6217389277266033  1.0000
  Se  Se11      1.0  0.33684207505427777  0.6682750512285733  0.7569001189087219  1.0000
  Se  Se12      1.0  0.3427673885574206  0.6678614498270998  0.5806137150099658  1.0000
  In  In13      1.0  0.33223827598010225  0.3326914208811303  0.4999752782815726  1.0000
  In  In14      1.0  0.6664686329847535  0.9993142146589256  0.499977081473483  1.0000