# generated using pymatgen
data_BF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57649098
_cell_length_b   7.12784460
_cell_length_c   13.48107814
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43480134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BF3
_chemical_formula_sum   'B8 F24'
_cell_volume   417.19307156
_cell_formula_units_Z   8
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  0.86140818  0.23401202  0.13540134  1.0
  B  B1  1  0.13859182  0.26598798  0.63540134  1.0
  B  B2  1  0.52003652  0.27703817  0.88397743  1.0
  B  B3  1  0.52003652  0.77703817  0.61602257  1.0
  B  B4  1  0.47996348  0.22296183  0.38397743  1.0
  B  B5  1  0.86140818  0.73401202  0.36459866  1.0
  B  B6  1  0.47996348  0.72296183  0.11602257  1.0
  B  B7  1  0.13859182  0.76598798  0.86459866  1.0
  F  F8  1  0.74505635  0.77057320  0.27944725  1.0
  F  F9  1  0.07879040  0.65009393  0.36510173  1.0
  F  F10  1  0.92120960  0.84990607  0.86510173  1.0
  F  F11  1  0.75784540  0.78583611  0.44842448  1.0
  F  F12  1  0.25494365  0.72942680  0.77944725  1.0
  F  F13  1  0.74913894  0.42956415  0.85160060  1.0
  F  F14  1  0.25086106  0.07043585  0.35160060  1.0
  F  F15  1  0.27910329  0.80450221  0.57322456  1.0
  F  F16  1  0.72089671  0.69549779  0.07322456  1.0
  F  F17  1  0.74505635  0.27057320  0.22055275  1.0
  F  F18  1  0.53707274  0.59631743  0.62800289  1.0
  F  F19  1  0.75784540  0.28583611  0.05157552  1.0
  F  F20  1  0.24215460  0.71416389  0.94842448  1.0
  F  F21  1  0.25086106  0.57043585  0.14839940  1.0
  F  F22  1  0.92120960  0.34990607  0.63489827  1.0
  F  F23  1  0.46292726  0.40368257  0.37199711  1.0
  F  F24  1  0.24215460  0.21416389  0.55157552  1.0
  F  F25  1  0.07879040  0.15009393  0.13489827  1.0
  F  F26  1  0.46292726  0.90368257  0.12800289  1.0
  F  F27  1  0.25494365  0.22942680  0.72055275  1.0
  F  F28  1  0.72089671  0.19549779  0.42677544  1.0
  F  F29  1  0.53707274  0.09631743  0.87199711  1.0
  F  F30  1  0.74913894  0.92956415  0.64839940  1.0
  F  F31  1  0.27910329  0.30450221  0.92677544  1.0