data_[H8Se8]
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 [P2_12_12_1]
_cell_length_a [5.1722]
_cell_length_b [8.0121]
_cell_length_c [8.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [HSe]
_chemical_formula_sum '[H8 Se8]'
_cell_volume [336.7869]
_cell_formula_units_Z [8]
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  0.0668  0.0163  0.9703  1.0
  H  H1  4  0.1469  0.6842  0.8879  1.0
  Se  Se2  4  0.1014  0.4988  0.8985  1.0
  Se  Se3  4  0.1972  0.0040  0.3649  1.0
]