# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63416100
_cell_length_b   8.45545700
_cell_length_c   9.84756700
_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   'Li8 Fe8 F32'
_cell_volume   635.66360173
_cell_formula_units_Z   8
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  0.10968000  0.53089500  0.24333700  1
  Li  Li1  1  0.10968000  0.96910500  0.24333700  1
  Li  Li2  1  0.60968000  0.03089500  0.25666300  1
  Li  Li3  1  0.60968000  0.46910500  0.25666300  1
  Li  Li4  1  0.39032000  0.96910500  0.74333700  1
  Li  Li5  1  0.39032000  0.53089500  0.74333700  1
  Li  Li6  1  0.89032000  0.46910500  0.75666300  1
  Li  Li7  1  0.89032000  0.03089500  0.75666300  1
  Fe  Fe8  1  0.35900400  0.75000000  0.03104600  1
  Fe  Fe9  1  0.77854400  0.75000000  0.09268400  1
  Fe  Fe10  1  0.27854400  0.25000000  0.40731600  1
  Fe  Fe11  1  0.85900400  0.25000000  0.46895400  1
  Fe  Fe12  1  0.14099600  0.75000000  0.53104600  1
  Fe  Fe13  1  0.72145600  0.75000000  0.59268400  1
  Fe  Fe14  1  0.22145600  0.25000000  0.90731600  1
  Fe  Fe15  1  0.64099600  0.25000000  0.96895400  1
  F  F16  1  0.20491900  0.91113200  0.07399500  1
  F  F17  1  0.20491900  0.58886800  0.07399500  1
  F  F18  1  0.55844800  0.60907800  0.09385400  1
  F  F19  1  0.55844800  0.89092200  0.09385400  1
  F  F20  1  0.13616700  0.25000000  0.07981100  1
  F  F21  1  0.63756800  0.25000000  0.15928000  1
  F  F22  1  0.86387500  0.58021400  0.19817800  1
  F  F23  1  0.86387500  0.91978600  0.19817800  1
  F  F24  1  0.36387500  0.08021400  0.30182200  1
  F  F25  1  0.36387500  0.41978600  0.30182200  1
  F  F26  1  0.13756800  0.75000000  0.34072000  1
  F  F27  1  0.63616700  0.75000000  0.42018900  1
  F  F28  1  0.05844800  0.10907800  0.40614600  1
  F  F29  1  0.05844800  0.39092200  0.40614600  1
  F  F30  1  0.70491900  0.08886800  0.42600500  1
  F  F31  1  0.70491900  0.41113200  0.42600500  1
  F  F32  1  0.29508100  0.58886800  0.57399500  1
  F  F33  1  0.29508100  0.91113200  0.57399500  1
  F  F34  1  0.94155200  0.60907800  0.59385400  1
  F  F35  1  0.94155200  0.89092200  0.59385400  1
  F  F36  1  0.36383300  0.25000000  0.57981100  1
  F  F37  1  0.86243200  0.25000000  0.65928000  1
  F  F38  1  0.63612500  0.58021400  0.69817800  1
  F  F39  1  0.63612500  0.91978600  0.69817800  1
  F  F40  1  0.13612500  0.08021400  0.80182200  1
  F  F41  1  0.13612500  0.41978600  0.80182200  1
  F  F42  1  0.36243200  0.75000000  0.84072000  1
  F  F43  1  0.86383300  0.75000000  0.92018900  1
  F  F44  1  0.44155200  0.10907800  0.90614600  1
  F  F45  1  0.44155200  0.39092200  0.90614600  1
  F  F46  1  0.79508100  0.08886800  0.92600500  1
  F  F47  1  0.79508100  0.41113200  0.92600500  1
