data_[B2S10I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.5997]
_cell_length_b [23.6795]
_cell_length_c [4.1911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2035]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BS5I]
_chemical_formula_sum '[B2 S10 I2]'
_cell_volume [444.4200]
_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  0.8195  0.5000  1
  S  S1  4  0.1650  0.0534  0.2095  1
  S  S2  4  0.1858  0.3692  0.3944  1
  S  S3  2  0.0000  0.1089  0.5000  1
  I  I4  2  0.0000  0.7573  0.0000  1
]