data_[B4Sb4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.3378]
_cell_length_b [6.1204]
_cell_length_c [3.8743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BSbF]
_chemical_formula_sum '[B4 Sb4 F4]'
_cell_volume [216.0271]
_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  4  0.2217  0.8523  0.7662  1
  Sb  Sb1  4  0.1570  0.2237  0.6647  1
  F  F2  4  0.0963  0.7300  0.7675  1
]