data_image0
_chemical_formula_structural       In2Se2In2Se2In2Se2In2Se2In2Se2In2Se2In
_chemical_formula_sum              "In13 Se12"
_cell_length_a       7.144462920954244
_cell_length_b       7.144137882424303
_cell_length_c       30.21473369428158
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.9905414273167

_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  0.3337775086449883  0.3338237975445491  0.2812727335607275  1.0000
  In  In2       1.0  0.333997263611202  0.3339407473402555  0.37443574629754817  1.0000
  Se  Se1       1.0  0.6689645279810746  0.6689426070120716  0.24200528867755294  1.0000
  Se  Se2       1.0  0.660599547673005  0.6604651989358118  0.4196580181145128  1.0000
  In  In3       1.0  0.33368910760126247  0.3336881987282553  0.7186247371794442  1.0000
  In  In4       1.0  0.3343076109444216  0.33431618784387496  0.6254298221260335  1.0000
  Se  Se3       1.0  0.6689004471713196  0.3335728830884543  0.7578020214135937  1.0000
  Se  Se4       1.0  0.660898202006665  0.33413443398745274  0.5802757402200192  1.0000
  In  In5       1.0  0.6669664717632474  0.00014553504160103888  0.2837907395365472  1.0000
  In  In6       1.0  0.6671491499463312  3.519010633890681e-05  0.37814574391441336  1.0000
  Se  Se5       1.0  0.9982551362297607  0.3336679752029751  0.24216156839352787  1.0000
  Se  Se6       1.0  0.006700087996649236  0.3336030228223656  0.41944987595235994  1.0000
  In  In7       1.0  0.6666284248971529  0.00014218803774060002  0.7160580258264768  1.0000
  In  In8       1.0  0.6670523394875111  0.0007154272541438478  0.6216919563171623  1.0000
  Se  Se7       1.0  0.9981300074915769  0.9981406407742331  0.7576486912519952  1.0000
  Se  Se8       1.0  0.007026092075104618  0.0070905541327912595  0.5804742761416227  1.0000
  In  In9       1.0  7.208879721592634e-05  0.6671232393724549  0.28381438495428374  1.0000
  In  In10      1.0  7.070829057576802e-05  0.6671879314790478  0.37816882073537944  1.0000
  Se  Se9       1.0  0.33362715922237074  0.998208126468549  0.24213876263237266  1.0000
  Se  Se10      1.0  0.33382647788037695  0.0065418156366915566  0.4194717507107705  1.0000
  In  In11      1.0  0.00021547388926910406  0.6665307395836109  0.7160485168894494  1.0000
  In  In12      1.0  0.0008029754670638503  0.6669315316388194  0.6216825046369692  1.0000
  Se  Se11      1.0  0.33353998338821117  0.6689841220843596  0.7578155267452682  1.0000
  Se  Se12      1.0  0.3341078232312799  0.6610708872067145  0.5802530082639162  1.0000
  In  In13      1.0  0.3321002413859602  0.3320407099524589  0.49995999246086287  1.0000