data_[B1S1O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9860]
_cell_length_b [2.3889]
_cell_length_c [5.6343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BSO]
_chemical_formula_sum '[B1 S1 O1]'
_cell_volume [52.3973]
_cell_formula_units_Z [1]
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  0.2229  0.5000  0.0648  1.0
  S  S1  1  0.5366  0.5000  0.3556  1.0
  O  O2  1  0.1079  0.0000  0.9546  1.0
]