# generated using pymatgen
data_Ti4(OF3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44242185
_cell_length_b   5.44243307
_cell_length_c   9.40282463
_cell_angle_alpha   73.08587563
_cell_angle_beta   73.08613381
_cell_angle_gamma   60.02254465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4(OF3)3
_chemical_formula_sum   'Ti4 O3 F9'
_cell_volume   227.22866148
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.75222271  0.46953353  0.62200575  1.0
  Ti  Ti1  1  0.53046937  0.24778086  0.37796901  1.0
  Ti  Ti2  1  0.22000937  0.01696131  0.13433578  1.0
  Ti  Ti3  1  0.98302350  0.78001001  0.86567941  1.0
  O  O4  1  0.63119648  0.36879813  0.49999246  1.0
  O  O5  1  0.86819233  0.12759349  0.75661353  1.0
  O  O6  1  0.87240768  0.13180516  0.24339088  1.0
  F  F7  1  0.36592006  0.63061438  0.25181998  1.0
  F  F8  1  0.36937806  0.63407903  0.74818082  1.0
  F  F9  1  0.86901890  0.63236611  0.74919501  1.0
  F  F10  1  0.12949238  0.37419965  0.50078682  1.0
  F  F11  1  0.14062902  0.36601230  0.99058605  1.0
  F  F12  1  0.36764930  0.13097839  0.25080708  1.0
  F  F13  1  0.14055762  0.85942856  0.00001444  1.0
  F  F14  1  0.63401334  0.85935820  0.00946277  1.0
  F  F15  1  0.62582087  0.87048289  0.49916021  1.0