# generated using pymatgen
data_KLi3Ca7Ti2(Si6O19)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85661490
_cell_length_b   9.88137752
_cell_length_c   20.14000060
_cell_angle_alpha   81.74765348
_cell_angle_beta   75.85475751
_cell_angle_gamma   60.10171499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi3Ca7Ti2(Si6O19)2
_chemical_formula_sum   'K2 Li6 Ca14 Ti4 Si24 O76'
_cell_volume   1648.40057610
_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  0.07086596  0.25021873  0.74995496  1
  K  K1  1  0.92913404  0.74978127  0.25004504  1
  Li  Li2  1  0.07084301  0.74511041  0.74936098  1
  Li  Li3  1  0.92915699  0.25488959  0.25063902  1
  Li  Li4  1  0.56305270  0.75692234  0.75182162  1
  Li  Li5  1  0.43694730  0.24307766  0.24817838  1
  Li  Li6  1  0.58300973  0.25025505  0.74974126  1
  Li  Li7  1  0.41699027  0.74974495  0.25025874  1
  Ca  Ca8  1  -0.00000000  0.00000000  -0.00000000  1
  Ca  Ca9  1  -0.00000000  0.50000000  0.50000000  1
  Ca  Ca10  1  0.70453804  0.43009097  0.01256025  1
  Ca  Ca11  1  0.29546196  0.56990903  0.98743975  1
  Ca  Ca12  1  0.56682441  0.14488627  0.00007869  1
  Ca  Ca13  1  0.43317559  0.85511373  0.99992131  1
  Ca  Ca14  1  0.85991291  0.71489250  0.99330920  1
  Ca  Ca15  1  0.14008709  0.28510750  0.00669080  1
  Ca  Ca16  1  0.14725837  0.07019064  0.48745478  1
  Ca  Ca17  1  0.85274163  0.92980936  0.51254522  1
  Ca  Ca18  1  0.56846915  0.78470541  0.50662790  1
  Ca  Ca19  1  0.43153085  0.21529459  0.49337210  1
  Ca  Ca20  1  0.28859980  0.64441002  0.50001655  1
  Ca  Ca21  1  0.71140020  0.35558998  0.49998345  1
  Ti  Ti22  1  0.40470834  0.58265263  0.74824966  1
  Ti  Ti23  1  0.59529166  0.41734737  0.25175034  1
  Ti  Ti24  1  0.73543086  0.91754450  0.75177840  1
  Ti  Ti25  1  0.26456914  0.08245550  0.24822160  1
  Si  Si26  1  0.89215833  0.00246550  0.86011746  1
  Si  Si27  1  0.10784167  0.99753450  0.13988254  1
  Si  Si28  1  0.26570417  0.87842829  0.85947949  1
  Si  Si29  1  0.73429583  0.12157171  0.14052051  1
  Si  Si30  1  0.38836779  0.12187580  0.86079989  1
  Si  Si31  1  0.61163221  0.87812420  0.13920011  1
  Si  Si32  1  0.14192494  0.48838165  0.85918433  1
  Si  Si33  1  0.85807506  0.51161835  0.14081567  1
  Si  Si34  1  0.76988760  0.61454474  0.86216185  1
  Si  Si35  1  0.23011240  0.38545526  0.13783815  1
  Si  Si36  1  0.65125266  0.36800439  0.86058062  1
  Si  Si37  1  0.34874734  0.63199561  0.13941938  1
  Si  Si38  1  0.62976526  0.62152207  0.36056117  1
  Si  Si39  1  0.37023474  0.37847793  0.63943883  1
  Si  Si40  1  0.99643094  0.37841473  0.35907998  1
  Si  Si41  1  0.00356906  0.62158527  0.64092002  1
  Si  Si42  1  0.24558053  0.50189076  0.35958931  1
  Si  Si43  1  0.75441947  0.49810924  0.64041069  1
  Si  Si44  1  0.12032323  0.86745086  0.36061258  1
  Si  Si45  1  0.87967677  0.13254914  0.63938742  1
  Si  Si46  1  0.75346145  0.11484654  0.36217817  1
  Si  Si47  1  0.24653855  0.88515346  0.63782183  1
  Si  Si48  1  0.51093138  0.98829924  0.35922009  1
  Si  Si49  1  0.48906862  0.01170076  0.64077991  1
  O  O50  1  0.79447180  0.18928088  0.84065327  1
  O  O51  1  0.20552820  0.81071912  0.15934673  1
  O  O52  1  0.88498412  0.90161403  0.80602914  1
  O  O53  1  0.11501588  0.09838597  0.19397086  1
  O  O54  1  0.83110852  0.96470103  0.94008347  1
  O  O55  1  0.16889148  0.03529897  0.05991653  1
  O  O56  1  0.07753705  0.96984590  0.85104949  1
  O  O57  1  0.92246295  0.03015410  0.14895051  1
  O  O58  1  0.37774674  0.74369885  0.80412775  1
  O  O59  1  0.62225326  0.25630115  0.19587225  1
  O  O60  1  0.27135655  0.81730450  0.93899820  1
  O  O61  1  0.72864345  0.18269550  0.06100180  1
  O  O62  1  0.32211608  0.01265501  0.84095428  1
  O  O63  1  0.67788392  0.98734499  0.15904572  1
  O  O64  1  0.55537985  0.08784086  0.80871337  1
  O  O65  1  0.44462015  0.91215914  0.19128663  1
  O  O66  1  0.39915159  0.10082234  0.94186257  1
  O  O67  1  0.60084841  0.89917766  0.05813743  1
  O  O68  1  0.24819918  0.29975523  0.84506959  1
  O  O69  1  0.75180082  0.70024477  0.15493041  1
  O  O70  1  0.21224503  0.58489399  0.80402842  1
  O  O71  1  0.78775497  0.41510601  0.19597158  1
  O  O72  1  0.12575632  0.51912775  0.93894242  1
  O  O73  1  0.87424368  0.48087225  0.06105758  1
  O  O74  1  0.96502194  0.54017514  0.84469628  1
  O  O75  1  0.03497806  0.45982486  0.15530372  1
  O  O76  1  0.69213085  0.76057916  0.81020149  1
  O  O77  1  0.30786915  0.23942084  0.18979851  1
  O  O78  1  0.69642357  0.65973227  0.94294281  1
  O  O79  1  0.30357643  0.34026773  0.05705719  1
  O  O80  1  0.74445021  0.47189598  0.84468981  1
  O  O81  1  0.25554979  0.52810402  0.15531019  1
  O  O82  1  0.53201474  0.41796557  0.80819614  1
  O  O83  1  0.46798526  0.58203443  0.19180386  1
  O  O84  1  0.56380042  0.37797485  0.94134779  1
  O  O85  1  0.43619958  0.62202515  0.05865221  1
  O  O86  1  0.60732184  0.79975874  0.34517578  1
  O  O87  1  0.39267816  0.20024126  0.65482422  1
  O  O88  1  0.54834919  0.58752145  0.30877786  1
  O  O89  1  0.45165081  0.41247855  0.69122214  1
  O  O90  1  0.55942685  0.59988995  0.44166941  1
  O  O91  1  0.44057315  0.40011005  0.55833059  1
  O  O92  1  0.82511178  0.51310620  0.34022583  1
  O  O93  1  0.17488822  0.48689380  0.65977417  1
  O  O94  1  0.07407032  0.24278586  0.30409515  1
  O  O95  1  0.92592968  0.75721414  0.69590485  1
  O  O96  1  0.97187973  0.31818359  0.43881942  1
  O  O97  1  0.02812027  0.68181641  0.56118058  1
  O  O98  1  0.10175532  0.46952734  0.35047487  1
  O  O99  1  0.89824468  0.53047266  0.64952513  1
  O  O100  1  0.40739919  0.40115015  0.30533180  1
  O  O101  1  0.59260081  0.59884985  0.69466820  1
  O  O102  1  0.26447661  0.46420600  0.43956579  1
  O  O103  1  0.73552339  0.53579400  0.56043421  1
  O  O104  1  0.17528585  0.68916861  0.34042074  1
  O  O105  1  0.82471415  0.31083139  0.65957926  1
  O  O106  1  0.24171835  0.91783285  0.30806928  1
  O  O107  1  0.75828165  0.08216715  0.69193072  1
  O  O108  1  0.11793408  0.87712827  0.44131607  1
  O  O109  1  0.88206592  0.12287173  0.55868393  1
  O  O110  1  0.93897307  0.97172268  0.34524444  1
  O  O111  1  0.06102693  0.02827732  0.65475556  1
  O  O112  1  0.73783034  0.26017404  0.30993353  1
  O  O113  1  0.26216966  0.73982596  0.69006647  1
  O  O114  1  0.70036175  0.16033237  0.44293862  1
  O  O115  1  0.29963825  0.83966763  0.55706138  1
  O  O116  1  0.65033451  0.04013430  0.34465413  1
  O  O117  1  0.34966549  0.95986570  0.65534587  1
  O  O118  1  0.39917158  0.08465475  0.30395745  1
  O  O119  1  0.60082842  0.91534525  0.69604255  1
  O  O120  1  0.41633312  0.01911143  0.43896159  1
  O  O121  1  0.58366688  0.98088857  0.56103841  1
  O  O122  1  0.03437336  0.75382688  0.03961425  1
  O  O123  1  0.96562664  0.24617312  0.96038575  1
  O  O124  1  0.17185893  0.25438851  0.53960930  1
  O  O125  1  0.82814107  0.74561149  0.46039070  1
