# generated using pymatgen
data_LiTiH6(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61518900
_cell_length_b   6.13591092
_cell_length_c   6.13591092
_cell_angle_alpha   120.00000994
_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   183.08512423
_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  0.50000000  0.00000000  0.00000000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1
  H  H2  1  0.72393700  0.81406900  0.30721700  1
  H  H3  1  0.72393700  0.49314800  0.18593100  1
  H  H4  1  0.27606300  0.50685200  0.69278300  1
  H  H5  1  0.72393700  0.69278300  0.50685200  1
  H  H6  1  0.27606300  0.30721700  0.81406900  1
  H  H7  1  0.27606300  0.18593100  0.49314800  1
  O  O8  1  0.67701500  0.66666700  0.33333300  1
  O  O9  1  0.32298500  0.33333300  0.66666700  1
  F  F10  1  0.76586400  0.74989800  0.76175800  1
  F  F11  1  0.76586400  0.01186000  0.25010200  1
  F  F12  1  0.23413500  0.98814000  0.23824200  1
  F  F13  1  0.76586400  0.23824200  0.98814000  1
  F  F14  1  0.23413500  0.76175800  0.74989800  1
  F  F15  1  0.23413500  0.25010200  0.01186000  1
