data_[B8O10F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8671]
_cell_length_b [4.7517]
_cell_length_c [7.3197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B4O5F2]
_chemical_formula_sum '[B8 O10 F4]'
_cell_volume [290.8824]
_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  4  0.0169  0.5000  0.7495  1
  B  B1  4  0.0323  0.0000  0.3484  1
  O  O2  8  0.0528  0.2491  0.2739  1
  O  O3  2  0.0000  0.0000  0.5000  1
  F  F4  4  0.1623  0.5000  0.8046  1
]