data_[B2H4S4]
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/m]
_cell_length_a [3.8125]
_cell_length_b [8.0777]
_cell_length_c [6.4777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B(HS)2]
_chemical_formula_sum '[B2 H4 S4]'
_cell_volume [199.1371]
_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  0.0000  0.0000  1
  H  H1  4  0.1112  0.5000  0.1452  1
  S  S2  4  0.2388  0.5000  0.7744  1
]