data_[B8H8S24]
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/c]
_cell_length_a [15.6574]
_cell_length_b [5.1052]
_cell_length_c [13.7007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BHS3]
_chemical_formula_sum '[B8 H8 S24]'
_cell_volume [904.2049]
_cell_formula_units_Z [8]
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  4  0.0000  0.0263  0.2500  1.0
  B  B1  4  0.0000  0.4809  0.2500  1.0
  H  H2  8  0.2449  0.3909  0.7749  1.0
  S  S3  8  0.0620  0.2479  0.7013  1.0
  S  S4  8  0.0925  0.2534  0.3723  1.0
  S  S5  8  0.2193  0.7846  0.3306  1.0
]