data_[Ba2H2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9867]
_cell_length_b [5.6995]
_cell_length_c [6.2698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHS2]
_chemical_formula_sum '[Ba2 H2 S4]'
_cell_volume [208.6396]
_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
[
  Ba  Ba0  2  0.3439  0.7500  0.7128  1
  H  H1  2  0.0696  0.2500  0.9540  1
  S  S2  2  0.0667  0.2500  0.7388  1
  S  S3  2  0.4282  0.7500  0.2356  1
]