# generated using pymatgen
data_TiPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24689700
_cell_length_b   5.24595637
_cell_length_c   7.45094044
_cell_angle_alpha   109.39801964
_cell_angle_beta   107.03639626
_cell_angle_gamma   95.76528915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPO4F
_chemical_formula_sum   'Ti2 P2 O8 F2'
_cell_volume   180.45487950
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  P  P2  1  0.90539200  0.59323800  0.76213600  1.0
  P  P3  1  0.09460800  0.40676200  0.23786400  1.0
  O  O4  1  0.03654800  0.58533500  0.11248400  1.0
  O  O5  1  0.54384100  0.66089200  0.09881400  1.0
  O  O6  1  0.85683300  0.39457300  0.39495000  1.0
  O  O7  1  0.94133500  0.98804500  0.34534700  1.0
  O  O8  1  0.45615900  0.33910800  0.90118600  1.0
  O  O9  1  0.14316700  0.60542700  0.60505000  1.0
  O  O10  1  0.05866500  0.01195500  0.65465300  1.0
  O  O11  1  0.96345200  0.41466500  0.88751600  1.0
  F  F12  1  0.63208400  0.79205800  0.26343800  1.0
  F  F13  1  0.36791600  0.20794200  0.73656200  1.0