data_[B2H8S2]
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 [P-1]
_cell_length_a [3.9681]
_cell_length_b [4.0820]
_cell_length_c [7.4849]
_cell_angle_alpha [89.2904]
_cell_angle_beta [75.2815]
_cell_angle_gamma [89.9233]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BH4S]
_chemical_formula_sum '[B2 H8 S2]'
_cell_volume [117.2511]
_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  1  0.0000  0.5000  0.5000  1
  B  B1  1  0.5000  0.0000  0.5000  1
  H  H2  2  0.0744  0.5108  0.3335  1
  H  H3  2  0.2541  0.7601  0.5010  1
  H  H4  2  0.2584  0.2414  0.4927  1
  H  H5  2  0.4090  0.0111  0.6746  1
  S  S6  2  0.2234  0.1157  0.9598  1
]