# generated using pymatgen
data_TiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86246035
_cell_length_b   4.04655802
_cell_length_c   3.93520584
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99209380
_cell_angle_gamma   134.97776598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOF
_chemical_formula_sum   'Ti1 O1 F1'
_cell_volume   32.24379600
_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  -0.00003702  0.49998099  0.00014338  1.0
  O  O1  1  0.00002680  0.00001340  0.00007604  1.0
  F  F2  1  0.00000922  0.50000461  0.50014458  1.0