# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10281510
_cell_length_b   5.10281510
_cell_length_c   6.31381400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.30715960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   156.08255967
_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  0.63684900  0.36315100  0.25000000  1
  Li  Li1  1  0.36315100  0.63684900  0.75000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1
  F  F4  1  0.23113500  0.20603300  0.25000000  1
  F  F5  1  0.20603300  0.23113500  0.75000000  1
  F  F6  1  0.77521800  0.22478200  0.01845400  1
  F  F7  1  0.77521800  0.22478200  0.48154600  1
  F  F8  1  0.22478200  0.77521800  0.51845400  1
  F  F9  1  0.22478200  0.77521800  0.98154600  1
  F  F10  1  0.79396700  0.76886500  0.25000000  1
  F  F11  1  0.76886500  0.79396700  0.75000000  1
