# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96710600
_cell_length_b   7.91519056
_cell_length_c   12.14921946
_cell_angle_alpha   106.14843100
_cell_angle_beta   94.38548247
_cell_angle_gamma   90.63333499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li10 Fe10 F30'
_cell_volume   641.29633719
_cell_formula_units_Z   10
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  0.84645000  0.91006800  0.34576700  1
  Li  Li1  1  0.74190100  0.73166500  0.08573200  1
  Li  Li2  1  0.37236700  0.73977900  0.52911100  1
  Li  Li3  1  0.49375200  0.80477400  0.86038700  1
  Li  Li4  1  0.30234900  0.53968200  0.25775400  1
  Li  Li5  1  0.69765100  0.46031800  0.74224600  1
  Li  Li6  1  0.50624800  0.19522600  0.13961300  1
  Li  Li7  1  0.62763300  0.26022100  0.47088900  1
  Li  Li8  1  0.25809900  0.26833500  0.91426800  1
  Li  Li9  1  0.15355000  0.08993200  0.65423300  1
  Fe  Fe10  1  0.95653900  0.90189000  0.84540900  1
  Fe  Fe11  1  0.43040200  0.92909400  0.32459200  1
  Fe  Fe12  1  0.88301600  0.69242600  0.55992300  1
  Fe  Fe13  1  0.80978400  0.47579200  0.26704100  1
  Fe  Fe14  1  0.24218100  0.72618900  0.02531100  1
  Fe  Fe15  1  0.75781900  0.27381100  0.97468900  1
  Fe  Fe16  1  0.19021600  0.52420800  0.73295900  1
  Fe  Fe17  1  0.11698400  0.30757400  0.44007700  1
  Fe  Fe18  1  0.56959800  0.07090600  0.67540800  1
  Fe  Fe19  1  0.04346100  0.09811000  0.15459100  1
  F  F20  1  0.96659800  0.84347800  0.03042400  1
  F  F21  1  0.97579600  0.93073400  0.68096100  1
  F  F22  1  0.65847300  0.86010600  0.22172800  1
  F  F23  1  0.89943500  0.70611700  0.39134500  1
  F  F24  1  0.51688900  0.72709100  0.99279200  1
  F  F25  1  0.83193900  0.51133900  0.10240000  1
  F  F26  1  0.68446600  0.96598700  0.84933900  1
  F  F27  1  0.62689300  0.78962600  0.60486700  1
  F  F28  1  0.90872400  0.61923800  0.72962400  1
  F  F29  1  0.32721800  0.97511800  0.55958200  1
  F  F30  1  0.23415600  0.71861500  0.18678000  1
  F  F31  1  0.83452800  0.41064500  0.44277700  1
  F  F32  1  0.40159500  0.71523000  0.37994700  1
  F  F33  1  0.78179100  0.18886000  0.13641000  1
  F  F34  1  0.53451300  0.41735100  0.24632600  1
  F  F35  1  0.46548700  0.58264900  0.75367400  1
  F  F36  1  0.21820900  0.81114000  0.86359000  1
  F  F37  1  0.59840500  0.28477000  0.62005300  1
  F  F38  1  0.16547200  0.58935500  0.55722300  1
  F  F39  1  0.76584400  0.28138500  0.81322000  1
  F  F40  1  0.67278200  0.02488200  0.44041800  1
  F  F41  1  0.09127600  0.38076200  0.27037600  1
  F  F42  1  0.37310700  0.21037400  0.39513300  1
  F  F43  1  0.31553400  0.03401300  0.15066100  1
  F  F44  1  0.16806100  0.48866100  0.89760000  1
  F  F45  1  0.48311100  0.27290900  0.00720800  1
  F  F46  1  0.10056500  0.29388300  0.60865500  1
  F  F47  1  0.34152700  0.13989400  0.77827200  1
  F  F48  1  0.02420400  0.06926600  0.31903900  1
  F  F49  1  0.03340200  0.15652200  0.96957600  1
