# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93905898
_cell_length_b   7.22298690
_cell_length_c   7.27643935
_cell_angle_alpha   78.31120823
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li4 Fe4 F16'
_cell_volume   254.20205663
_cell_formula_units_Z   4
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  0.25099418  0.83404663  0.84881472  1
  Li  Li1  1  0.24900582  0.33404663  0.84881472  1
  Li  Li2  1  0.75099418  0.66595337  0.15118528  1
  Li  Li3  1  0.74900582  0.16595337  0.15118528  1
  Fe  Fe4  1  0.74528771  0.67542452  0.68617767  1
  Fe  Fe5  1  0.75471229  0.17542452  0.68617767  1
  Fe  Fe6  1  0.24528771  0.82457548  0.31382233  1
  Fe  Fe7  1  0.25471229  0.32457548  0.31382233  1
  F  F8  1  0.91887256  0.69452122  0.91276827  1
  F  F9  1  0.58112744  0.19452122  0.91276827  1
  F  F10  1  0.42434085  0.58039035  0.80413977  1
  F  F11  1  0.07565915  0.08039035  0.80413977  1
  F  F12  1  0.91355238  0.43157623  0.68685109  1
  F  F13  1  0.07266663  0.80522326  0.56125286  1
  F  F14  1  0.58644762  0.93157623  0.68685109  1
  F  F15  1  0.42733337  0.30522326  0.56125286  1
  F  F16  1  0.57266663  0.69477674  0.43874714  1
  F  F17  1  0.41355238  0.06842377  0.31314891  1
  F  F18  1  0.92733337  0.19477674  0.43874714  1
  F  F19  1  0.08644762  0.56842377  0.31314891  1
  F  F20  1  0.92434085  0.91960965  0.19586023  1
  F  F21  1  0.57565915  0.41960965  0.19586023  1
  F  F22  1  0.41887256  0.80547878  0.08723173  1
  F  F23  1  0.08112744  0.30547878  0.08723173  1
