data_[H6Se2S2]
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 [P-1]
_cell_length_a [5.1371]
_cell_length_b [5.7869]
_cell_length_c [8.4213]
_cell_angle_alpha [82.2426]
_cell_angle_beta [74.6858]
_cell_angle_gamma [66.6546]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H3SeS]
_chemical_formula_sum '[H6 Se2 S2]'
_cell_volume [221.5596]
_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  0.1133  0.8453  0.2676  1.0
  H  H1  2  0.2331  0.6696  0.8495  1.0
  H  H2  2  0.2592  0.1522  0.7410  1.0
  Se  Se3  2  0.2785  0.4501  0.9718  1.0
  S  S4  2  0.1665  0.0283  0.6556  1.0
]