# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47728676
_cell_length_b   4.78226113
_cell_length_c   11.41963514
_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   244.51213949
_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  0.25000000  0.05772035  1
  Li  Li1  1  0.00000000  0.75000000  0.94227965  1
  Li  Li2  1  0.50000000  0.25000000  0.55772035  1
  Li  Li3  1  0.50000000  0.75000000  0.44227965  1
  Fe  Fe4  1  0.00000000  0.25000000  0.32615823  1
  Fe  Fe5  1  0.00000000  0.75000000  0.67384177  1
  Fe  Fe6  1  0.50000000  0.25000000  0.82615823  1
  Fe  Fe7  1  0.50000000  0.75000000  0.17384177  1
  F  F8  1  0.23128559  0.42354781  0.19262631  1
  F  F9  1  0.23128559  0.92354781  0.80737369  1
  F  F10  1  0.24788811  0.91821616  0.06461344  1
  F  F11  1  0.24788811  0.41821616  0.93538656  1
  F  F12  1  0.25211189  0.91821616  0.56461344  1
  F  F13  1  0.25211189  0.41821616  0.43538656  1
  F  F14  1  0.26871441  0.92354781  0.30737369  1
  F  F15  1  0.26871441  0.42354781  0.69262631  1
  F  F16  1  0.73128559  0.07645219  0.69262631  1
  F  F17  1  0.73128559  0.57645219  0.30737369  1
  F  F18  1  0.74788811  0.08178384  0.43538656  1
  F  F19  1  0.74788811  0.58178384  0.56461344  1
  F  F20  1  0.75211189  0.58178384  0.06461344  1
  F  F21  1  0.75211189  0.08178384  0.93538656  1
  F  F22  1  0.76871441  0.07645219  0.19262631  1
  F  F23  1  0.76871441  0.57645219  0.80737369  1
