data_[B2S2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3151]
_cell_length_b [3.0822]
_cell_length_c [6.2836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BSF]
_chemical_formula_sum '[B2 S2 F2]'
_cell_volume [102.2671]
_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  0.4647  0.7500  0.6581  1.0
  S  S1  2  0.3078  0.7500  0.3522  1.0
  F  F2  2  0.3071  0.7500  0.8125  1.0
]