data_image0
_chemical_formula_structural       InSeInSe2
_chemical_formula_sum              "In2 Se3"
_cell_length_a       4.005332244700117
_cell_length_b       4.005622090940529
_cell_length_c       36.36696
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99760638407454

_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  5.500778927463477e-05  0.00011001557854927297  0.5518247607168705  1.0000
  Se  Se1       1.0  0.3333450482382818  0.666690096476564  0.5887003807851963  1.0000
  In  In2       1.0  0.3333449920269945  0.6666899840539894  0.4481752398330793  1.0000
  Se  Se2       1.0  0.6666999986007446  0.33339999837495427  0.5000000010998995  1.0000
  Se  Se3       1.0  5.4950136672225004e-05  0.00010990027334445257  0.41129962058967817  1.0000