data_[H2Se2Br4]
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 [P1]
_cell_length_a [4.4215]
_cell_length_b [7.7392]
_cell_length_c [8.2685]
_cell_angle_alpha [81.3698]
_cell_angle_beta [84.1387]
_cell_angle_gamma [83.9899]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HSeBr2]
_chemical_formula_sum '[H2 Se2 Br4]'
_cell_volume [277.1220]
_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
[
  H  H0  1  0.2553  0.4826  0.8369  1.0
  H  H1  1  0.9069  0.5723  0.3269  1.0
  Se  Se2  1  0.3192  0.9532  0.4191  1.0
  Se  Se3  1  0.9496  0.0326  0.6109  1.0
  Br  Br4  1  0.0765  0.8612  0.1994  1.0
  Br  Br5  1  0.4449  0.3372  0.9158  1.0
  Br  Br6  1  0.7124  0.4321  0.3889  1.0
  Br  Br7  1  0.8423  0.7737  0.8039  1.0
]