data_[H2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9653]
_cell_length_b [3.9843]
_cell_length_c [4.2222]
_cell_angle_alpha [74.6301]
_cell_angle_beta [81.8186]
_cell_angle_gamma [72.6906]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H2S]
_chemical_formula_sum '[H2 S1]'
_cell_volume [61.2624]
_cell_formula_units_Z [1]
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  0.0974  0.3100  0.8562  1.0
  H  H1  1  0.3302  0.4539  0.1566  1.0
  S  S2  1  0.0192  0.5827  0.0120  1.0
]