# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66693370
_cell_length_b   5.66693370
_cell_length_c   5.66693370
_cell_angle_alpha   111.20356700
_cell_angle_beta   111.20356700
_cell_angle_gamma   106.05945985
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   139.72524540
_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  0.50000000  0.50000000  0.00000000  1
  Li  Li1  1  0.25000000  0.75000000  0.50000000  1
  Fe  Fe2  1  0.75000000  0.25000000  0.50000000  1
  Fe  Fe3  1  0.00000000  0.00000000  0.00000000  1
  F  F4  1  0.69154000  0.48337200  0.79183200  1
  F  F5  1  0.10029300  0.30846000  0.79183200  1
  F  F6  1  0.51662800  0.30846000  0.20816800  1
  F  F7  1  0.69154000  0.89970700  0.20816800  1
  F  F8  1  0.05846000  0.35029300  0.29183200  1
  F  F9  1  0.64970700  0.94154000  0.70816800  1
  F  F10  1  0.23337200  0.94154000  0.29183200  1
  F  F11  1  0.05846000  0.76662800  0.70816800  1
