data_[H4Se2S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1895]
_cell_length_b [2.5899]
_cell_length_c [3.8834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [H2SeS]
_chemical_formula_sum '[H4 Se2 S2]'
_cell_volume [139.6517]
_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  2  0.0369  0.5000  0.0371  1
  H  H1  2  0.3453  0.0000  0.9919  1
  Se  Se2  2  0.2405  0.0000  0.7817  1
  S  S3  2  0.4911  0.0000  0.3103  1
]