data_[H2Se2]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4726]
_cell_length_b [4.5844]
_cell_length_c [5.4644]
_cell_angle_alpha [109.3530]
_cell_angle_beta [92.7069]
_cell_angle_gamma [114.9260]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HSe]
_chemical_formula_sum '[H2 Se2]'
_cell_volume [93.5512]
_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  0.1156  0.6888  0.1523  1.0
  H  H1  1  0.5087  0.5065  0.4946  1.0
  Se  Se2  1  0.6924  0.2950  0.4434  1.0
  Se  Se3  1  0.8150  0.3316  0.0316  1.0
]