# generated using pymatgen
data_KLi3Ca7Ti2Si12(O18F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77609722
_cell_length_b   9.77609722
_cell_length_c   20.87636967
_cell_angle_alpha   70.59237899
_cell_angle_beta   70.59237899
_cell_angle_gamma   59.81778806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi3Ca7Ti2Si12(O18F)2
_chemical_formula_sum   'K2 Li6 Ca14 Ti4 Si24 O72 F4'
_cell_volume   1592.95549710
_cell_formula_units_Z   2
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
  K  K0  1  0.92894484  0.07105516  0.25000000  1
  K  K1  1  0.07105516  0.92894484  0.75000000  1
  Li  Li2  1  0.43609915  0.07145638  0.24885595  1
  Li  Li3  1  0.92854362  0.56390085  0.25114405  1
  Li  Li4  1  0.41621461  0.58378539  0.25000000  1
  Li  Li5  1  0.07145638  0.43609915  0.74885595  1
  Li  Li6  1  0.56390085  0.92854362  0.75114405  1
  Li  Li7  1  0.58378539  0.41621461  0.75000000  1
  Ca  Ca8  1  0.43532190  0.71010902  0.00001857  1
  Ca  Ca9  1  0.71010902  0.43532190  0.50001857  1
  Ca  Ca10  1  0.86139191  0.42869890  0.99342004  1
  Ca  Ca11  1  0.14732274  0.29333129  0.48709426  1
  Ca  Ca12  1  0.70666871  0.85267726  0.01290574  1
  Ca  Ca13  1  0.56467810  0.28989098  0.99998143  1
  Ca  Ca14  1  0.00000000  -0.00000000  -0.00000000  1
  Ca  Ca15  1  0.13860809  0.57130110  0.00657996  1
  Ca  Ca16  1  0.42869890  0.86139191  0.49342004  1
  Ca  Ca17  1  0.28989098  0.56467810  0.49998143  1
  Ca  Ca18  1  0.29333129  0.14732274  0.98709426  1
  Ca  Ca19  1  0.85267726  0.70666871  0.51290574  1
  Ca  Ca20  1  0.00000000  -0.00000000  0.50000000  1
  Ca  Ca21  1  0.57130110  0.13860809  0.50657996  1
  Ti  Ti22  1  0.40490925  0.26418205  0.74826369  1
  Ti  Ti23  1  0.73581795  0.59509075  0.75173631  1
  Ti  Ti24  1  0.59509075  0.73581795  0.25173631  1
  Ti  Ti25  1  0.26418205  0.40490925  0.24826369  1
  Si  Si26  1  0.12088225  0.65144329  0.36044628  1
  Si  Si27  1  0.10749358  0.75428935  0.13973633  1
  Si  Si28  1  0.73295163  0.00516326  0.14016429  1
  Si  Si29  1  0.24599268  0.23107469  0.63790413  1
  Si  Si30  1  0.26704837  0.99483674  0.85983571  1
  Si  Si31  1  0.89250642  0.24571065  0.86026367  1
  Si  Si32  1  0.87911775  0.34855671  0.63955372  1
  Si  Si33  1  0.99483674  0.26704837  0.35983571  1
  Si  Si34  1  0.14075693  0.51084427  0.85927684  1
  Si  Si35  1  0.61126618  0.37152680  0.13960860  1
  Si  Si36  1  0.75400732  0.76892531  0.36209587  1
  Si  Si37  1  0.76892531  0.75400732  0.86209587  1
  Si  Si38  1  0.48915573  0.85924307  0.64072316  1
  Si  Si39  1  0.62847320  0.38873382  0.36039140  1
  Si  Si40  1  0.51084427  0.14075693  0.35927684  1
  Si  Si41  1  0.24571065  0.89250642  0.36026367  1
  Si  Si42  1  0.23107469  0.24599268  0.13790413  1
  Si  Si43  1  0.34855671  0.87911775  0.13955372  1
  Si  Si44  1  0.00516326  0.73295163  0.64016429  1
  Si  Si45  1  0.75428935  0.10749358  0.63973633  1
  Si  Si46  1  0.38873382  0.62847320  0.86039140  1
  Si  Si47  1  0.37152680  0.61126618  0.63960860  1
  Si  Si48  1  0.85924307  0.48915573  0.14072316  1
  Si  Si49  1  0.65144329  0.12088225  0.86044628  1
  O  O50  1  0.67751057  0.17610263  0.15952590  1
  O  O51  1  0.40760380  0.88769572  0.30578478  1
  O  O52  1  0.93954816  0.74352538  0.34485457  1
  O  O53  1  0.30210305  0.29975314  0.05670124  1
  O  O54  1  0.72658505  0.03099877  0.06050276  1
  O  O55  1  0.11649406  0.56394295  0.44146146  1
  O  O56  1  0.74352538  0.93954816  0.84485457  1
  O  O57  1  0.26136822  0.31107710  0.68949079  1
  O  O58  1  0.82877367  0.26502516  0.94028412  1
  O  O59  1  0.69789695  0.70024686  0.94329876  1
  O  O60  1  0.56394295  0.11649406  0.94146146  1
  O  O61  1  0.55622107  0.54571364  0.80859166  1
  O  O62  1  0.24779656  0.60623782  0.84544500  1
  O  O63  1  0.24381238  0.53110574  0.30831670  1
  O  O64  1  0.11230428  0.59239620  0.19421522  1
  O  O65  1  0.96900123  0.27341495  0.43949724  1
  O  O66  1  0.92232349  0.89930963  0.14714350  1
  O  O67  1  0.39923917  0.55860165  0.94169411  1
  O  O68  1  0.26502516  0.82877367  0.44028412  1
  O  O69  1  0.89930963  0.92232349  0.64714350  1
  O  O70  1  0.21087172  0.39760618  0.80440144  1
  O  O71  1  0.55860165  0.39923917  0.44169411  1
  O  O72  1  0.45428636  0.44377893  0.69140834  1
  O  O73  1  0.25647462  0.06045184  0.15514543  1
  O  O74  1  0.39376218  0.75220344  0.65455500  1
  O  O75  1  0.17610263  0.67751057  0.65952590  1
  O  O76  1  0.92707898  0.62007704  0.69570260  1
  O  O77  1  0.54571364  0.55622107  0.30859166  1
  O  O78  1  0.62007704  0.92707898  0.19570260  1
  O  O79  1  0.96424933  0.65028542  0.84419937  1
  O  O80  1  0.75220344  0.39376218  0.15455500  1
  O  O81  1  0.03099877  0.72658505  0.56050276  1
  O  O82  1  0.88350594  0.43605705  0.55853854  1
  O  O83  1  0.78912828  0.60239382  0.19559856  1
  O  O84  1  0.60076083  0.44139835  0.05830589  1
  O  O85  1  0.73497484  0.17122633  0.55971588  1
  O  O86  1  0.12380963  0.41771981  0.93941070  1
  O  O87  1  0.41771981  0.12380963  0.43941070  1
  O  O88  1  0.37992296  0.07292102  0.80429740  1
  O  O89  1  0.70024686  0.69789695  0.44329876  1
  O  O90  1  0.31107710  0.26136822  0.18949079  1
  O  O91  1  0.73863178  0.68892290  0.31050921  1
  O  O92  1  0.68892290  0.73863178  0.81050921  1
  O  O93  1  0.17122633  0.73497484  0.05971588  1
  O  O94  1  0.75618762  0.46889426  0.69168330  1
  O  O95  1  0.79498957  0.17611854  0.84038301  1
  O  O96  1  0.43605705  0.88350594  0.05853854  1
  O  O97  1  0.20501043  0.82388146  0.15961699  1
  O  O98  1  0.06045184  0.25647462  0.65514543  1
  O  O99  1  0.10069037  0.07767651  0.35285650  1
  O  O100  1  0.58228019  0.87619037  0.56058930  1
  O  O101  1  0.34971458  0.03575067  0.65580063  1
  O  O102  1  0.87619037  0.58228019  0.06058930  1
  O  O103  1  0.44377893  0.45428636  0.19140834  1
  O  O104  1  0.07292102  0.37992296  0.30429740  1
  O  O105  1  0.82389737  0.32248943  0.34047410  1
  O  O106  1  0.17611854  0.79498957  0.34038301  1
  O  O107  1  0.60239382  0.78912828  0.69559856  1
  O  O108  1  0.60623782  0.24779656  0.34544500  1
  O  O109  1  0.29975314  0.30210305  0.55670124  1
  O  O110  1  0.82388146  0.20501043  0.65961699  1
  O  O111  1  0.44139835  0.60076083  0.55830589  1
  O  O112  1  0.53110574  0.24381238  0.80831670  1
  O  O113  1  0.46889426  0.75618762  0.19168330  1
  O  O114  1  0.07767651  0.10069037  0.85285650  1
  O  O115  1  0.59239620  0.11230428  0.69421522  1
  O  O116  1  0.32248943  0.82389737  0.84047410  1
  O  O117  1  0.88769572  0.40760380  0.80578478  1
  O  O118  1  0.27341495  0.96900123  0.93949724  1
  O  O119  1  0.03575067  0.34971458  0.15580063  1
  O  O120  1  0.39760618  0.21087172  0.30440144  1
  O  O121  1  0.65028542  0.96424933  0.34419937  1
  F  F122  1  0.17246283  0.03452818  0.53801385  1
  F  F123  1  0.96547182  0.82753717  0.96198615  1
  F  F124  1  0.03452818  0.17246283  0.03801385  1
  F  F125  1  0.82753717  0.96547182  0.46198615  1
