# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64769539
_cell_length_b   5.51207673
_cell_length_c   10.03202543
_cell_angle_alpha   84.27049704
_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   255.72105732
_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  0.49325874  0.61082952  0.62318583  1
  Li  Li1  1  0.00674126  0.61082952  0.12318583  1
  Li  Li2  1  0.99325874  0.38917048  0.87681417  1
  Li  Li3  1  0.50674126  0.38917048  0.37681417  1
  Fe  Fe4  1  0.49269518  0.85477186  0.87499697  1
  Fe  Fe5  1  0.00730482  0.85477186  0.37499697  1
  Fe  Fe6  1  0.99269518  0.14522814  0.62500303  1
  Fe  Fe7  1  0.50730482  0.14522814  0.12500303  1
  F  F8  1  0.29177333  0.91082385  0.70176198  1
  F  F9  1  0.20822667  0.91082385  0.20176198  1
  F  F10  1  0.81090774  0.85482931  0.54956628  1
  F  F11  1  0.68909226  0.85482931  0.04956628  1
  F  F12  1  0.19549579  0.65711937  0.94930881  1
  F  F13  1  0.30450421  0.65711937  0.44930881  1
  F  F14  1  0.68568641  0.60346036  0.80125161  1
  F  F15  1  0.81431359  0.60346036  0.30125161  1
  F  F16  1  0.18568641  0.39653964  0.69874839  1
  F  F17  1  0.31431359  0.39653964  0.19874839  1
  F  F18  1  0.69549579  0.34288063  0.55069119  1
  F  F19  1  0.80450421  0.34288063  0.05069119  1
  F  F20  1  0.31090774  0.14517069  0.95043372  1
  F  F21  1  0.18909226  0.14517069  0.45043372  1
  F  F22  1  0.79177333  0.08917615  0.79823802  1
  F  F23  1  0.70822667  0.08917615  0.29823802  1
