data_[B16S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.3224]
_cell_length_b [4.2069]
_cell_length_c [21.9605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BS2]
_chemical_formula_sum '[B16 S32]'
_cell_volume [1081.3152]
_cell_formula_units_Z [16]
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  0.0864  0.6296  0.8666  1
  B  B1  4  0.1689  0.1580  0.6605  1
  B  B2  4  0.2738  0.6880  0.4662  1
  B  B3  4  0.3107  0.1162  0.0956  1
  S  S4  4  0.0527  0.0355  0.6896  1
  S  S5  4  0.1198  0.6910  0.4450  1
  S  S6  4  0.1601  0.1585  0.0849  1
  S  S7  4  0.2004  0.5183  0.8362  1
  S  S8  4  0.3066  0.0764  0.7173  1
  S  S9  4  0.3408  0.6594  0.9104  1
  S  S10  4  0.3775  0.5538  0.5403  1
  S  S11  4  0.4132  0.2469  0.6688  1
]