data_image0
_chemical_formula_structural       Se2Br5
_chemical_formula_sum              "Se2 Br5"
_cell_length_a       9.299065068374391
_cell_length_b       9.299065066159356
_cell_length_c       17.59007028
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000787959

_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  0.33333332989774117  0.6666666705492513  0.46891870690126664  1.0000
  Se  Se2       1.0  0.6666666697700049  0.3333333296868033  0.46891870690126664  1.0000
  Br  Br1       1.0  0.5002106852461402  0.0  0.4535005951096177  1.0000
  Br  Br2       1.0  0.9999999997681934  0.5002106858579038  0.4535005951096177  1.0000
  Br  Br3       1.0  0.49978931465341253  0.49978931437815083  0.4535005951096177  1.0000
  Br  Br4       1.0  0.33333332989774117  0.6666666705492513  0.6008300445517039  1.0000
  Br  Br5       1.0  0.6666666697700049  0.3333333296868033  0.6008300445517039  1.0000