# generated using pymatgen
data_LiTiH6(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97823400
_cell_length_b   5.67021368
_cell_length_c   5.67021368
_cell_angle_alpha   119.99999627
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiH6(OF3)2
_chemical_formula_sum   'Li1 Ti1 H6 O2 F6'
_cell_volume   166.45713259
_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
  Li  Li0  1  0.31019700  0.66666700  0.33333300  1
  Ti  Ti1  1  0.99607500  0.00000000  0.00000000  1
  H  H2  1  0.71981300  0.83567900  0.32120800  1
  H  H3  1  0.71981300  0.48552800  0.16432100  1
  H  H4  1  0.27313500  0.51497300  0.68346900  1
  H  H5  1  0.71981300  0.67879200  0.51447200  1
  H  H6  1  0.27313500  0.31653200  0.83150400  1
  H  H7  1  0.27313500  0.16849600  0.48502700  1
  O  O8  1  0.65791700  0.66666700  0.33333300  1
  O  O9  1  0.32192900  0.33333300  0.66666700  1
  F  F10  1  0.80295800  0.69928300  0.75110200  1
  F  F11  1  0.80295800  0.05181900  0.30071700  1
  F  F12  1  0.21636000  0.91660700  0.22986900  1
  F  F13  1  0.80295800  0.24889800  0.94818100  1
  F  F14  1  0.21636000  0.77013100  0.68673900  1
  F  F15  1  0.21636000  0.31326100  0.08339300  1
