# generated using pymatgen
data_LiTiO4F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04343519
_cell_length_b   6.04343519
_cell_length_c   7.36436200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.74107601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiO4F3
_chemical_formula_sum   'Li2 Ti2 O8 F6'
_cell_volume   268.04908638
_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
  Li  Li0  1  0.79165600  0.79165600  0.25000000  1
  Li  Li1  1  0.20834400  0.20834400  0.75000000  1
  Ti  Ti2  1  0.25284800  0.25284800  0.25000000  1
  Ti  Ti3  1  0.74715200  0.74715200  0.75000000  1
  O  O4  1  0.95951000  0.49891300  0.75000000  1
  O  O5  1  0.50108700  0.04049000  0.25000000  1
  O  O6  1  0.74945100  0.41071200  0.75000000  1
  O  O7  1  0.58928800  0.25054900  0.25000000  1
  O  O8  1  0.41071200  0.74945100  0.75000000  1
  O  O9  1  0.25054900  0.58928800  0.25000000  1
  O  O10  1  0.49891300  0.95951000  0.75000000  1
  O  O11  1  0.04049000  0.50108700  0.25000000  1
  F  F12  1  0.02325900  0.02325900  0.25000000  1
  F  F13  1  0.27172500  0.27172500  0.50319900  1
  F  F14  1  0.27172500  0.27172500  0.99680100  1
  F  F15  1  0.72827500  0.72827500  0.49680100  1
  F  F16  1  0.72827500  0.72827500  0.00319900  1
  F  F17  1  0.97674100  0.97674100  0.75000000  1
