data_[Na2H6S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.0528]
_cell_length_b [11.0612]
_cell_length_c [4.0847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NaH3S]
_chemical_formula_sum '[Na2 H6 S2]'
_cell_volume [183.1116]
_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
[
  Na  Na0  2  0.0000  0.1787  0.8016  1.0
  H  H1  2  0.5000  0.0479  0.3629  1.0
  H  H2  2  0.5000  0.3832  0.7104  1.0
  H  H3  2  0.5000  0.4360  0.8253  1.0
  S  S4  2  0.5000  0.1679  0.2997  1.0
]