# generated using pymatgen
data_LiTiH6(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64721417
_cell_length_b   5.89864986
_cell_length_c   5.89864986
_cell_angle_alpha   118.43300771
_cell_angle_beta   89.42395291
_cell_angle_gamma   90.57604709
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiH6(OF3)2
_chemical_formula_sum   'Li1 Ti1 H6 O2 F6'
_cell_volume   172.77606654
_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  0.03862800  0.03862800  1
  Ti  Ti1  1  0.00000000  0.01095200  0.01095200  1
  H  H2  1  0.72652800  0.84077300  0.33349100  1
  H  H3  1  0.72533100  0.50792600  0.19485000  1
  H  H4  1  0.27045900  0.52546200  0.69466600  1
  H  H5  1  0.72954100  0.69466600  0.52546200  1
  H  H6  1  0.27347200  0.33349100  0.84077300  1
  H  H7  1  0.27466900  0.19485000  0.50792600  1
  O  O8  1  0.68198000  0.68065900  0.35200900  1
  O  O9  1  0.31802000  0.35200900  0.68065900  1
  F  F10  1  0.77457200  0.74013600  0.78834000  1
  F  F11  1  0.76529900  0.06075100  0.28807300  1
  F  F12  1  0.23848600  0.98155800  0.24743800  1
  F  F13  1  0.76151300  0.24743800  0.98155800  1
  F  F14  1  0.22542700  0.78834000  0.74013600  1
  F  F15  1  0.23470000  0.28807300  0.06075100  1
