data_image0
_chemical_formula_structural       In3Se4
_chemical_formula_sum              "In3 Se4"
_cell_length_a       4.046384340840745
_cell_length_b       4.046384340840698
_cell_length_c       40.50312
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.9999999997922233  7.748418810525674e-18  0.5  1.0000
  In  In2       1.0  0.6666666659614343  0.33333333213064925  0.5890720223528458  1.0000
  In  In3       1.0  0.3333333335574756  0.6666666671149587  0.41092797764715405  1.0000
  Se  Se1       1.0  0.9999999997922233  7.748418810525674e-18  0.3784753742427744  1.0000
  Se  Se2       1.0  0.9999999997922233  7.748418810525674e-18  0.6215246257572256  1.0000
  Se  Se3       1.0  0.6666666659614343  0.33333333213064925  0.4591251357920081  1.0000
  Se  Se4       1.0  0.3333333335574756  0.6666666671149587  0.5408748642079918  1.0000