data_[B2S6Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5080]
_cell_length_b [7.0485]
_cell_length_c [9.2315]
_cell_angle_alpha [70.9301]
_cell_angle_beta [85.2631]
_cell_angle_gamma [74.4396]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BS3Cl]
_chemical_formula_sum '[B2 S6 Cl2]'
_cell_volume [326.3051]
_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  0.0509  0.5122  0.0229  1
  B  B1  1  0.5980  0.7484  0.5002  1
  S  S2  1  0.1547  0.5134  0.6017  1
  S  S3  1  0.2605  0.7918  0.4982  1
  S  S4  1  0.3889  0.4721  0.0171  1
  S  S5  1  0.4848  0.7021  0.0825  1
  S  S6  1  0.8112  0.7575  0.9674  1
  S  S7  1  0.8423  0.5241  0.4841  1
  Cl  Cl8  1  0.6627  0.9812  0.4982  1
  Cl  Cl9  1  0.9822  0.2688  0.0713  1
]