data_[H8Se4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3889]
_cell_length_b [7.5086]
_cell_length_c [9.3114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [H2SeBr2]
_chemical_formula_sum '[H8 Se4 Br8]'
_cell_volume [568.2890]
_cell_formula_units_Z [4]
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
[
  H  H0  4  0.2255  0.2258  0.6451  1.0
  H  H1  4  0.3663  0.0778  0.3073  1.0
  Se  Se2  4  0.3349  0.2186  0.8039  1.0
  Br  Br3  4  0.0846  0.2268  0.4052  1.0
  Br  Br4  4  0.4147  0.7021  0.8198  1.0
]