# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89802900
_cell_length_b   7.90953689
_cell_length_c   16.50510541
_cell_angle_alpha   91.42679110
_cell_angle_beta   96.53777708
_cell_angle_gamma   90.86812597
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li14 Fe14 F42'
_cell_volume   894.24194697
_cell_formula_units_Z   14
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  0.78199300  0.16404800  0.03279000  1
  Li  Li1  1  0.87787000  0.77754900  0.75524300  1
  Li  Li2  1  0.74153500  0.70751000  0.56992900  1
  Li  Li3  1  0.67629600  0.54886600  0.30891600  1
  Li  Li4  1  0.56496400  0.46534500  0.12135800  1
  Li  Li5  1  0.67979200  0.07360100  0.83788100  1
  Li  Li6  1  0.51243500  0.15648700  0.60006400  1
  Li  Li7  1  0.48756500  0.84351300  0.39993600  1
  Li  Li8  1  0.32020800  0.92639900  0.16211900  1
  Li  Li9  1  0.43503600  0.53465500  0.87864200  1
  Li  Li10  1  0.32370400  0.45113400  0.69108400  1
  Li  Li11  1  0.25846500  0.29249000  0.43007100  1
  Li  Li12  1  0.12213000  0.22245100  0.24475700  1
  Li  Li13  1  0.21800700  0.83595200  0.96721000  1
  Fe  Fe14  1  0.94689600  0.95709000  0.39107100  1
  Fe  Fe15  1  0.83317100  0.85805200  0.18724700  1
  Fe  Fe16  1  0.95291300  0.45668300  0.90047400  1
  Fe  Fe17  1  0.76837400  0.29836500  0.48824900  1
  Fe  Fe18  1  0.83612700  0.37419400  0.69517600  1
  Fe  Fe19  1  0.59073500  0.17892200  0.28479100  1
  Fe  Fe20  1  0.70397400  0.81220600  0.96054300  1
  Fe  Fe21  1  0.29602600  0.18779400  0.03945700  1
  Fe  Fe22  1  0.40926500  0.82107800  0.71520900  1
  Fe  Fe23  1  0.16387300  0.62580600  0.30482400  1
  Fe  Fe24  1  0.23162600  0.70163500  0.51175100  1
  Fe  Fe25  1  0.04708700  0.54331700  0.09952600  1
  Fe  Fe26  1  0.16682900  0.14194800  0.81275300  1
  Fe  Fe27  1  0.05310400  0.04291000  0.60892900  1
  F  F28  1  0.99392000  0.31897000  0.01791400  1
  F  F29  1  0.92351100  0.06455700  0.27382100  1
  F  F30  1  0.96660500  0.83244800  0.52158200  1
  F  F31  1  0.83184200  0.93907100  0.07328700  1
  F  F32  1  0.87787500  0.72689700  0.30781900  1
  F  F33  1  0.94390700  0.55535700  0.77706900  1
  F  F34  1  0.77682700  0.62277600  0.12061000  1
  F  F35  1  0.84464800  0.48297100  0.57748600  1
  F  F36  1  0.87208100  0.23394700  0.80935900  1
  F  F37  1  0.74965500  0.35921300  0.37255600  1
  F  F38  1  0.79132700  0.14318400  0.60010200  1
  F  F39  1  0.57252800  0.25602500  0.07323500  1
  F  F40  1  0.58384500  0.39403700  0.22772700  1
  F  F41  1  0.67728000  0.79630200  0.66906000  1
  F  F42  1  0.77161100  0.85102400  0.84316100  1
  F  F43  1  0.67089900  0.01917700  0.39416200  1
  F  F44  1  0.64461700  0.06849500  0.94313100  1
  F  F45  1  0.56977600  0.94790800  0.22413500  1
  F  F46  1  0.68918400  0.50869700  0.92363600  1
  F  F47  1  0.51411600  0.72651600  0.49793500  1
  F  F48  1  0.44914100  0.66135200  0.32507700  1
  F  F49  1  0.55085900  0.33864800  0.67492300  1
  F  F50  1  0.48588400  0.27348400  0.50206500  1
  F  F51  1  0.31081600  0.49130300  0.07636400  1
  F  F52  1  0.43022400  0.05209200  0.77586500  1
  F  F53  1  0.35538300  0.93150500  0.05686900  1
  F  F54  1  0.32910100  0.98082300  0.60583800  1
  F  F55  1  0.22838900  0.14897600  0.15683900  1
  F  F56  1  0.32272000  0.20369800  0.33094000  1
  F  F57  1  0.41615500  0.60596300  0.77227300  1
  F  F58  1  0.42747200  0.74397500  0.92676500  1
  F  F59  1  0.20867300  0.85681600  0.39989800  1
  F  F60  1  0.25034500  0.64078700  0.62744400  1
  F  F61  1  0.12791900  0.76605300  0.19064100  1
  F  F62  1  0.15535200  0.51702900  0.42251400  1
  F  F63  1  0.22317300  0.37722400  0.87939000  1
  F  F64  1  0.05609300  0.44464300  0.22293100  1
  F  F65  1  0.12212500  0.27310300  0.69218100  1
  F  F66  1  0.16815800  0.06092900  0.92671300  1
  F  F67  1  0.03339500  0.16755200  0.47841800  1
  F  F68  1  0.07648900  0.93544300  0.72617900  1
  F  F69  1  0.00608000  0.68103000  0.98208600  1
