data_[B4S4]
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 [Cm]
_cell_length_a [5.2692]
_cell_length_b [3.0422]
_cell_length_c [8.1618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BS]
_chemical_formula_sum '[B4 S4]'
_cell_volume [127.1044]
_cell_formula_units_Z [4]
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  0.2791  0.5000  0.8751  1.0
  B  B1  2  0.3591  0.5000  0.0930  1.0
  S  S2  2  0.0731  0.0000  0.7680  1.0
  S  S3  2  0.2318  0.0000  0.2001  1.0
]