data_image0
_chemical_formula_structural       Se2In2
_chemical_formula_sum              "Se2 In2"
_cell_length_a       4.099096808785283
_cell_length_b       5.97650907146776
_cell_length_c       33.09573525695488
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    110.0557328355054

_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
  Se  Se1       1.0  0.9931106578927881  0.9862213157855761  0.44885057560031993  1.0000
  Se  Se2       1.0  0.424469280401234  0.8489385608024687  0.5511493583200217  1.0000
  In  In1       1.0  0.8302921769067075  0.6605843559566396  0.5098369179289995  1.0000
  In  In2       1.0  0.587287802884285  0.174575607911794  0.4901629519347504  1.0000