data_image0
_chemical_formula_structural       In2Se4
_chemical_formula_sum              "In2 Se4"
_cell_length_a       3.218241093782748
_cell_length_b       7.222858346633608
_cell_length_c       16.2670050174248
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.00000744872978

_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  0.5000000009659404  0.999999999578807  0.500000000079154  1.0000
  In  In2       1.0  0.9999999998299313  0.4999999995407917  0.500000000079154  1.0000
  Se  Se1       1.0  0.5000053533352324  0.2946463857969508  0.3919390369137122  1.0000
  Se  Se2       1.0  7.148181522254049e-07  0.2053580151695813  0.6081019843175768  1.0000
  Se  Se3       1.0  0.49999464825651113  0.70535361382674  0.608060963244596  1.0000
  Se  Se4       1.0  0.9999992836663041  0.7946419844541094  0.39189801522599  1.0000