# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57327093
_cell_length_b   6.57327093
_cell_length_c   6.84163063
_cell_angle_alpha   74.84721426
_cell_angle_beta   74.84721426
_cell_angle_gamma   34.68340527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   161.78562686
_cell_formula_units_Z   2
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  0.91083900  0.91083900  0.70332700  1
  Li  Li1  1  0.08916100  0.08916100  0.29667300  1
  Fe  Fe2  1  0.80547400  0.80547400  0.27718500  1
  Fe  Fe3  1  0.19452600  0.19452600  0.72281500  1
  F  F4  1  0.93133400  0.93133400  0.37883300  1
  F  F5  1  0.86984700  0.86984700  0.00356600  1
  F  F6  1  0.28039000  0.28039000  0.34997500  1
  F  F7  1  0.35081100  0.35081100  0.71101900  1
  F  F8  1  0.64918900  0.64918900  0.28898100  1
  F  F9  1  0.71961000  0.71961000  0.65002500  1
  F  F10  1  0.13015300  0.13015300  0.99643400  1
  F  F11  1  0.06866600  0.06866600  0.62116700  1
