# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64416400
_cell_length_b   5.02435500
_cell_length_c   12.01138200
_cell_angle_alpha   90.00000000
_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   280.27273015
_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  0.00000000  0.75000000  0.32174300  1
  Li  Li1  1  0.00000000  0.25000000  0.67825700  1
  Li  Li2  1  0.50000000  0.25000000  0.17825700  1
  Li  Li3  1  0.50000000  0.75000000  0.82174300  1
  Fe  Fe4  1  0.00000000  0.75000000  0.07614100  1
  Fe  Fe5  1  0.00000000  0.25000000  0.92385900  1
  Fe  Fe6  1  0.50000000  0.75000000  0.57614100  1
  Fe  Fe7  1  0.50000000  0.25000000  0.42385900  1
  F  F8  1  0.22814100  0.07946200  0.05236800  1
  F  F9  1  0.22814100  0.57946200  0.94763200  1
  F  F10  1  0.23365200  0.08951700  0.81500200  1
  F  F11  1  0.23365200  0.58951700  0.18499800  1
  F  F12  1  0.26634800  0.08951700  0.31500200  1
  F  F13  1  0.26634800  0.58951700  0.68499800  1
  F  F14  1  0.27185900  0.07946200  0.55236800  1
  F  F15  1  0.27185900  0.57946200  0.44763200  1
  F  F16  1  0.72814100  0.92053800  0.44763200  1
  F  F17  1  0.72814100  0.42053800  0.55236800  1
  F  F18  1  0.73365200  0.91048300  0.68499800  1
  F  F19  1  0.73365200  0.41048300  0.31500200  1
  F  F20  1  0.76634800  0.91048300  0.18499800  1
  F  F21  1  0.76634800  0.41048300  0.81500200  1
  F  F22  1  0.77185900  0.42053800  0.05236800  1
  F  F23  1  0.77185900  0.92053800  0.94763200  1
