data_[B2H2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.5885]
_cell_length_b [5.5538]
_cell_length_c [2.9583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BHS]
_chemical_formula_sum '[B2 H2 S2]'
_cell_volume [121.2906]
_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
[
  B  B0  2  0.0000  0.5364  0.5000  1.0
  H  H1  2  0.0000  0.3218  0.5000  1.0
  S  S2  2  0.0000  0.7244  0.0000  1.0
]