# generated using pymatgen
data_Li3TiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34527702
_cell_length_b   8.34546298
_cell_length_c   9.98422141
_cell_angle_alpha   83.34884512
_cell_angle_beta   83.34809615
_cell_angle_gamma   63.19497150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TiF6
_chemical_formula_sum   'Li18 Ti6 F36'
_cell_volume   614.86912939
_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  0.70089987  0.01392362  0.78116116  1
  Li  Li1  1  0.98602023  0.29911974  0.71890163  1
  Li  Li2  1  0.29908974  0.98609063  0.21883468  1
  Li  Li3  1  0.01394378  0.70090252  0.28114956  1
  Li  Li4  1  0.05814999  0.34533281  0.07227739  1
  Li  Li5  1  0.65470161  0.94181474  0.42774251  1
  Li  Li6  1  0.33337187  0.63837359  0.01540690  1
  Li  Li7  1  0.36165769  0.66663910  0.48458962  1
  Li  Li8  1  0.66662889  0.36163320  0.98463557  1
  Li  Li9  1  0.63835713  0.33337503  0.51540310  1
  Li  Li10  1  0.86576302  0.47422517  0.45452549  1
  Li  Li11  1  0.52535267  0.13460585  0.04545594  1
  Li  Li12  1  0.13476390  0.52511404  0.54548475  1
  Li  Li13  1  0.47420524  0.86576872  0.95450816  1
  Li  Li14  1  0.19396866  0.80601349  0.74999942  1
  Li  Li15  1  0.80605768  0.19397875  0.25000259  1
  Li  Li16  1  0.94180584  0.65468335  0.92774225  1
  Li  Li17  1  0.34533168  0.05815897  0.57224544  1
  Ti  Ti18  1  0.66227461  0.65756393  0.21202356  1
  Ti  Ti19  1  0.34256504  0.33769410  0.28796253  1
  Ti  Ti20  1  0.33771876  0.34254544  0.78799656  1
  Ti  Ti21  1  0.65751352  0.66227045  0.71200235  1
  Ti  Ti22  1  0.00001257  -0.00005240  0.49999063  1
  Ti  Ti23  1  -0.00004476  0.00000844  0.00000014  1
  F  F24  1  0.24578396  0.56446747  0.18467512  1
  F  F25  1  0.90532944  0.24932001  0.56222440  1
  F  F26  1  0.24931127  0.90535577  0.06220920  1
  F  F27  1  0.09474295  0.75059600  0.43778414  1
  F  F28  1  0.59074166  0.57117604  0.56191235  1
  F  F29  1  0.42880400  0.40925746  0.93812317  1
  F  F30  1  0.40925142  0.42882862  0.43808019  1
  F  F31  1  0.57109758  0.59080049  0.06197132  1
  F  F32  1  0.75060045  0.09466695  0.93779310  1
  F  F33  1  0.07494679  0.07622323  0.32636444  1
  F  F34  1  0.07619774  0.07498438  0.82636437  1
  F  F35  1  0.92501582  0.92377742  0.67364160  1
  F  F36  1  0.43550667  0.75431416  0.31532391  1
  F  F37  1  0.22445484  0.27498058  0.64792041  1
  F  F38  1  0.27498880  0.22443461  0.14789542  1
  F  F39  1  0.77561680  0.72500317  0.35209881  1
  F  F40  1  0.90263088  0.24552994  0.07106203  1
  F  F41  1  0.75448081  0.09734929  0.42892531  1
  F  F42  1  0.09732324  0.75448242  0.92894173  1
  F  F43  1  0.24553145  0.90264299  0.57103495  1
  F  F44  1  0.58460938  0.89718425  0.61104623  1
  F  F45  1  0.10276792  0.41539652  0.88895195  1
  F  F46  1  0.41539805  0.10276396  0.38892593  1
  F  F47  1  0.89723549  0.58462012  0.11105004  1
  F  F48  1  0.75415923  0.43555832  0.81539510  1
  F  F49  1  0.56444874  0.24573757  0.68464920  1
  F  F50  1  0.09717719  0.43793177  0.38307230  1
  F  F51  1  0.72498702  0.77558516  0.85208350  1
  F  F52  1  0.90295549  0.56193571  0.61689583  1
  F  F53  1  0.43797226  0.09717344  0.88309822  1
  F  F54  1  0.24862816  0.58058126  0.68054289  1
  F  F55  1  0.41939974  0.75142766  0.81946014  1
  F  F56  1  0.75142135  0.41946526  0.31943143  1
  F  F57  1  0.58061182  0.24865015  0.18049422  1
  F  F58  1  0.92379536  0.92503223  0.17362304  1
  F  F59  1  0.56196499  0.90298033  0.11689008  1
