data_image0
_chemical_formula_structural       In4Se6
_chemical_formula_sum              "In4 Se6"
_cell_length_a       4.139370787757358
_cell_length_b       6.7469516559459235
_cell_length_c       37.097944
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  0.0  0.997098264372067  0.4537140804892045  1.0000
  In  In2       1.0  0.49999999906297865  0.4970982646725046  0.5462859195107955  1.0000
  In  In3       1.0  0.49999999906297865  0.5504931737174683  0.42733252737671934  1.0000
  In  In4       1.0  0.0  0.050493173417030704  0.5726674726232808  1.0000
  Se  Se1       1.0  0.49999999906297865  0.7635037721754335  0.4876375030379042  1.0000
  Se  Se2       1.0  0.0  0.26350377187499585  0.5123624969620958  1.0000
  Se  Se3       1.0  0.0  0.7219398134722665  0.39663426496088305  1.0000
  Se  Se4       1.0  0.49999999906297865  0.22193981317182893  0.6033657350391171  1.0000
  Se  Se5       1.0  0.0  0.6729307458426511  0.5826491012547756  1.0000
  Se  Se6       1.0  0.49999999906297865  0.1729307455422134  0.41735089874522424  1.0000