data_[B2H6N2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2641]
_cell_length_b [5.4475]
_cell_length_c [6.6967]
_cell_angle_alpha [108.4934]
_cell_angle_beta [107.2531]
_cell_angle_gamma [98.5864]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BH3NF4]
_chemical_formula_sum '[B2 H6 N2 F8]'
_cell_volume [167.5260]
_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  0.2617  0.3661  0.6811  1.0
  H  H1  2  0.0930  0.8322  0.1217  1.0
  H  H2  2  0.1409  0.8358  0.8802  1.0
  H  H3  2  0.2960  0.1144  0.1270  1.0
  N  N4  2  0.1205  0.9509  0.0287  1.0
  F  F5  2  0.0469  0.3679  0.7734  1.0
  F  F6  2  0.1453  0.2452  0.4444  1.0
  F  F7  2  0.4000  0.6449  0.7483  1.0
  F  F8  2  0.4441  0.2326  0.7707  1.0
]