# generated using pymatgen
data_TiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98776000
_cell_length_b   5.09870500
_cell_length_c   5.21102812
_cell_angle_alpha   77.79902647
_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   129.52889237
_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  0.53842000  0.68576200  0.70655700  1.0
  Ti  Ti1  1  0.96158000  0.68576200  0.20655700  1.0
  Ti  Ti2  1  0.03842000  0.31423800  0.79344300  1.0
  Ti  Ti3  1  0.46158000  0.31423800  0.29344300  1.0
  O  O4  1  0.25392700  0.55552900  0.98864600  1.0
  O  O5  1  0.24607300  0.55552900  0.48864600  1.0
  O  O6  1  0.75392700  0.44447100  0.51135400  1.0
  O  O7  1  0.74607300  0.44447100  0.01135400  1.0
  F  F8  1  0.81977400  0.94448300  0.85052700  1.0
  F  F9  1  0.68022600  0.94448300  0.35052700  1.0
  F  F10  1  0.31977400  0.05551700  0.64947300  1.0
  F  F11  1  0.18022600  0.05551700  0.14947300  1.0