data_[Se2Br2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4730]
_cell_length_b [5.9589]
_cell_length_c [6.9393]
_cell_angle_alpha [96.8187]
_cell_angle_beta [94.7503]
_cell_angle_gamma [104.0740]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SeBrO]
_chemical_formula_sum '[Se2 Br2 O2]'
_cell_volume [176.9353]
_cell_formula_units_Z [2]
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  2  0.4001  0.9112  0.8114  1
  Br  Br1  2  0.4139  0.7029  0.2774  1
  O  O2  2  0.0179  0.8528  0.7974  1
]