data_image0
_chemical_formula_structural       In2Se2
_chemical_formula_sum              "In2 Se2"
_cell_length_a       4.078643368070661
_cell_length_b       4.07982347528384
_cell_length_c       32.745636000000005
_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  1.7500393147496382e-17  0.9349690050054086  0.4603863470540013  1.0000
  In  In2       1.0  0.4999999990106195  0.4349690055833944  0.5396136529459986  1.0000
  Se  Se1       1.0  0.4999999990106195  0.4349971808220282  0.45135373305926924  1.0000
  Se  Se2       1.0  1.7966474275442893e-17  0.9349971789489275  0.5486462669407306  1.0000