data_[Se2Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5293]
_cell_length_b [6.0786]
_cell_length_c [6.1686]
_cell_angle_alpha [61.6394]
_cell_angle_beta [86.9193]
_cell_angle_gamma [78.9012]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Se2Br3]
_chemical_formula_sum '[Se2 Br3]'
_cell_volume [178.8608]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Se0  1  0.3403  0.0325  0.7122  1
  Se  Se1  1  0.4746  0.6900  0.0855  1
  Br  Br2  1  0.3648  0.4025  0.7679  1
  Br  Br3  1  0.6695  0.0232  0.4332  1
  Br  Br4  1  0.9393  0.7468  0.0774  1
]