# generated using pymatgen
data_Li2FeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49218800
_cell_length_b   8.78959000
_cell_length_c   17.86894667
_cell_angle_alpha   60.89034093
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF4
_chemical_formula_sum   'Li24 Fe12 F48'
_cell_volume   1028.09610156
_cell_formula_units_Z   12
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  0.65307800  0.15464900  0.91131900  1
  Li  Li1  1  0.23414600  0.14125400  0.91237400  1
  Li  Li2  1  0.83051800  0.82153500  0.25859900  1
  Li  Li3  1  0.24776100  0.80774800  0.26957700  1
  Li  Li4  1  0.66969700  0.52229100  0.57682100  1
  Li  Li5  1  0.25666300  0.54276900  0.57296500  1
  Li  Li6  1  0.75666300  0.45723100  0.92703500  1
  Li  Li7  1  0.16969700  0.47770900  0.92317900  1
  Li  Li8  1  0.74776100  0.19225200  0.23042300  1
  Li  Li9  1  0.33051800  0.17846500  0.24140100  1
  Li  Li10  1  0.73414600  0.85874600  0.58762600  1
  Li  Li11  1  0.15307800  0.84535100  0.58868100  1
  Li  Li12  1  0.84692200  0.15464900  0.41131900  1
  Li  Li13  1  0.26585400  0.14125400  0.41237400  1
  Li  Li14  1  0.66948200  0.82153500  0.75859900  1
  Li  Li15  1  0.25223900  0.80774800  0.76957700  1
  Li  Li16  1  0.83030300  0.52229100  0.07682100  1
  Li  Li17  1  0.24333700  0.54276900  0.07296500  1
  Li  Li18  1  0.74333700  0.45723100  0.42703500  1
  Li  Li19  1  0.33030300  0.47770900  0.42317900  1
  Li  Li20  1  0.75223900  0.19225200  0.73042300  1
  Li  Li21  1  0.16948200  0.17846500  0.74140100  1
  Li  Li22  1  0.76585400  0.85874600  0.08762600  1
  Li  Li23  1  0.34692200  0.84535100  0.08868100  1
  Fe  Fe24  1  0.95629400  0.82449600  0.41547300  1
  Fe  Fe25  1  0.95307900  0.55345000  0.73471800  1
  Fe  Fe26  1  0.05329100  0.16240800  0.08560700  1
  Fe  Fe27  1  0.45307900  0.44655000  0.76528200  1
  Fe  Fe28  1  0.55329100  0.83759200  0.41439300  1
  Fe  Fe29  1  0.45629400  0.17550400  0.08452700  1
  Fe  Fe30  1  0.54370600  0.82449600  0.91547300  1
  Fe  Fe31  1  0.44670900  0.16240800  0.58560700  1
  Fe  Fe32  1  0.54692100  0.55345000  0.23471800  1
  Fe  Fe33  1  0.94670900  0.83759200  0.91439300  1
  Fe  Fe34  1  0.04692100  0.44655000  0.26528200  1
  Fe  Fe35  1  0.04370600  0.17550400  0.58452700  1
  F  F36  1  0.55346500  0.93368000  0.12030900  1
  F  F37  1  0.92659400  0.92152300  0.14770500  1
  F  F38  1  0.76834600  0.62131200  0.46558100  1
  F  F39  1  0.03537100  0.73872900  0.33249800  1
  F  F40  1  0.40040000  0.71643200  0.36656800  1
  F  F41  1  0.69029800  0.32804600  0.79050700  1
  F  F42  1  0.23854000  0.06408700  0.03103300  1
  F  F43  1  0.29024700  0.39612600  0.69504000  1
  F  F44  1  0.46665700  0.67305700  0.53915900  1
  F  F45  1  0.58880900  0.27594500  0.96911700  1
  F  F46  1  0.77518200  0.61034100  0.64474200  1
  F  F47  1  0.25095800  0.04693600  0.18910200  1
  F  F48  1  0.27518200  0.38965900  0.85525800  1
  F  F49  1  0.75095800  0.95306400  0.31089800  1
  F  F50  1  0.08880900  0.72405500  0.53088300  1
  F  F51  1  0.96665700  0.32694300  0.96084100  1
  F  F52  1  0.79024700  0.60387400  0.80496000  1
  F  F53  1  0.19029800  0.67195400  0.70949300  1
  F  F54  1  0.73854000  0.93591300  0.46896700  1
  F  F55  1  0.90040000  0.28356800  0.13343200  1
  F  F56  1  0.53537100  0.26127100  0.16750200  1
  F  F57  1  0.26834600  0.37868800  0.03441900  1
  F  F58  1  0.42659400  0.07847700  0.35229500  1
  F  F59  1  0.05346500  0.06632000  0.37969100  1
  F  F60  1  0.94653500  0.93368000  0.62030900  1
  F  F61  1  0.57340600  0.92152300  0.64770500  1
  F  F62  1  0.73165400  0.62131200  0.96558100  1
  F  F63  1  0.46462900  0.73872900  0.83249800  1
  F  F64  1  0.09960000  0.71643200  0.86656800  1
  F  F65  1  0.26146000  0.06408700  0.53103300  1
  F  F66  1  0.80970200  0.32804600  0.29050700  1
  F  F67  1  0.20975300  0.39612600  0.19504000  1
  F  F68  1  0.03334300  0.67305700  0.03915900  1
  F  F69  1  0.91119100  0.27594500  0.46911700  1
  F  F70  1  0.24904200  0.04693600  0.68910200  1
  F  F71  1  0.72481800  0.61034100  0.14474200  1
  F  F72  1  0.74904200  0.95306400  0.81089800  1
  F  F73  1  0.22481800  0.38965900  0.35525800  1
  F  F74  1  0.41119100  0.72405500  0.03088300  1
  F  F75  1  0.53334300  0.32694300  0.46084100  1
  F  F76  1  0.70975300  0.60387400  0.30496000  1
  F  F77  1  0.76146000  0.93591300  0.96896700  1
  F  F78  1  0.30970200  0.67195400  0.20949300  1
  F  F79  1  0.59960000  0.28356800  0.63343200  1
  F  F80  1  0.96462900  0.26127100  0.66750200  1
  F  F81  1  0.23165400  0.37868800  0.53441900  1
  F  F82  1  0.07340600  0.07847700  0.85229500  1
  F  F83  1  0.44653500  0.06632000  0.87969100  1
