# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99605400
_cell_length_b   8.23368981
_cell_length_c   9.72179498
_cell_angle_alpha   97.23823288
_cell_angle_beta   106.75934898
_cell_angle_gamma   101.53607153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li6 Fe6 F24'
_cell_volume   515.22328484
_cell_formula_units_Z   6
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  0.00672700  0.00360700  0.26563000  1
  Li  Li1  1  0.19437800  0.60429000  0.35154900  1
  Li  Li2  1  0.47830000  0.68702400  0.86165100  1
  Li  Li3  1  0.52170000  0.31297600  0.13834900  1
  Li  Li4  1  0.80562200  0.39571000  0.64845100  1
  Li  Li5  1  0.99327300  0.99639300  0.73437000  1
  Fe  Fe6  1  0.02172900  0.69727300  0.98556500  1
  Fe  Fe7  1  0.23248300  0.30408800  0.57259600  1
  Fe  Fe8  1  0.46790600  0.88305000  0.21452400  1
  Fe  Fe9  1  0.53209400  0.11695000  0.78547600  1
  Fe  Fe10  1  0.76751700  0.69591200  0.42740400  1
  Fe  Fe11  1  0.97827100  0.30272700  0.01443500  1
  F  F12  1  0.05416200  0.83928100  0.85623200  1
  F  F13  1  0.04126100  0.71370100  0.43441700  1
  F  F14  1  0.04651000  0.52997600  0.13569300  1
  F  F15  1  0.15996700  0.86931600  0.17166900  1
  F  F16  1  0.25612400  0.13783500  0.74526600  1
  F  F17  1  0.35180400  0.48284000  0.73672300  1
  F  F18  1  0.47920800  0.88996100  0.78312600  1
  F  F19  1  0.18462600  0.09474300  0.44919000  1
  F  F20  1  0.26512800  0.42757400  0.42890800  1
  F  F21  1  0.44987300  0.74899000  0.35691900  1
  F  F22  1  0.35247000  0.72904400  0.02742000  1
  F  F23  1  0.24481100  0.29698800  0.02635500  1
  F  F24  1  0.75518900  0.70301200  0.97364500  1
  F  F25  1  0.64753000  0.27095600  0.97258000  1
  F  F26  1  0.55012700  0.25101000  0.64308100  1
  F  F27  1  0.73487200  0.57242600  0.57109200  1
  F  F28  1  0.81537400  0.90525700  0.55081000  1
  F  F29  1  0.52079200  0.11003900  0.21687400  1
  F  F30  1  0.64819600  0.51716000  0.26327700  1
  F  F31  1  0.74387600  0.86216500  0.25473400  1
  F  F32  1  0.84003300  0.13068400  0.82833100  1
  F  F33  1  0.95349000  0.47002400  0.86430700  1
  F  F34  1  0.95873900  0.28629900  0.56558300  1
  F  F35  1  0.94583800  0.16071900  0.14376800  1
