# generated using pymatgen
data_LiTiFeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98125389
_cell_length_b   8.98125389
_cell_length_c   4.59876200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiFeF6
_chemical_formula_sum   'Li3 Ti3 Fe3 F18'
_cell_volume   321.25176083
_cell_formula_units_Z   3
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  0.69408700  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.69408700  0.50000000  1
  Li  Li2  1  0.30591300  0.30591300  0.50000000  1
  Ti  Ti3  1  0.35205300  0.00000000  0.00000000  1
  Ti  Ti4  1  0.00000000  0.35205300  0.00000000  1
  Ti  Ti5  1  0.64794700  0.64794700  0.00000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.33333300  0.66666700  0.48952300  1
  Fe  Fe8  1  0.66666700  0.33333300  0.51047700  1
  F  F9  1  0.10445400  0.56367600  0.25706700  1
  F  F10  1  0.43632400  0.54077800  0.25706700  1
  F  F11  1  0.56367600  0.10445400  0.74293300  1
  F  F12  1  0.45922200  0.89554600  0.25706700  1
  F  F13  1  0.54077800  0.43632400  0.74293300  1
  F  F14  1  0.89554600  0.45922200  0.74293300  1
  F  F15  1  0.10548100  0.23287800  0.22830000  1
  F  F16  1  0.76712200  0.87260300  0.22830000  1
  F  F17  1  0.23287800  0.10548100  0.77170000  1
  F  F18  1  0.12739700  0.89451900  0.22830000  1
  F  F19  1  0.87260300  0.76712200  0.77170000  1
  F  F20  1  0.89451900  0.12739700  0.77170000  1
  F  F21  1  0.44110900  0.20079900  0.25724600  1
  F  F22  1  0.79920100  0.24031000  0.25724600  1
  F  F23  1  0.20079900  0.44110900  0.74275400  1
  F  F24  1  0.75969000  0.55889100  0.25724600  1
  F  F25  1  0.24031000  0.79920100  0.74275400  1
  F  F26  1  0.55889100  0.75969000  0.74275400  1
