# generated using pymatgen
data_TiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77031500
_cell_length_b   5.17381400
_cell_length_c   5.70201217
_cell_angle_alpha   87.88234187
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOF
_chemical_formula_sum   'Ti4 O4 F4'
_cell_volume   140.63366931
_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
  Ti  Ti0  1  0.51560700  0.78522500  0.64034200  1.0
  Ti  Ti1  1  0.98439300  0.78522500  0.14034200  1.0
  Ti  Ti2  1  0.01560700  0.21477500  0.85965800  1.0
  Ti  Ti3  1  0.48439300  0.21477500  0.35965800  1.0
  O  O4  1  0.76538800  0.91131700  0.86867100  1.0
  O  O5  1  0.73461200  0.91131700  0.36867100  1.0
  O  O6  1  0.26538800  0.08868300  0.63132900  1.0
  O  O7  1  0.23461200  0.08868300  0.13132900  1.0
  F  F8  1  0.23026300  0.58261500  0.87834700  1.0
  F  F9  1  0.26973700  0.58261500  0.37834700  1.0
  F  F10  1  0.73026300  0.41738500  0.62165300  1.0
  F  F11  1  0.76973700  0.41738500  0.12165300  1.0