################################################################################
#                                                                              #
#                          Uploaded cif edited by                              #
#                                   SAINT                                      #
#    Surface and Interface Toolkit for the Materials Chemistry Community       #
#                           saint.chem.ucl.ac.uk                               #
#                                                                              #
################################################################################
data_input

_audit_creation_method             'Generated using SAINT'

_cell_length_a          14.431500
_cell_length_b          14.431500
_cell_length_c           9.756200
_cell_angle_alpha       90.000000
_cell_angle_beta        90.000000
_cell_angle_gamma       90.000000

_symmetry_space_group_name_H-M     'P1       '
_symmetry_Int_Tables_number                1

loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O         -0.00016886     -0.00008275      0.74286974      1.00000000
O         -0.00002590      0.33330701      0.74291090      1.00000000
O         -0.00013185      0.66669383      0.74275142      1.00000000
O          0.33328490      0.00000015      0.74263683      1.00000000
O          0.33345113      0.33330870      0.74225817      1.00000000
O          0.33329621      0.66666696      0.74211499      1.00000000
O          0.66660079     -0.00014321      0.74232088      1.00000000
O          0.66675554      0.33347842      0.74192007      1.00000000
O          0.66669352      0.66686881      0.74160744      1.00000000
O          0.16665200      0.16672007      0.74276666      1.00000000
O          0.16668982      0.49997021      0.74226173      1.00000000
O          0.16666859      0.83319177      0.74206042      1.00000000
O          0.50003355      0.16656068      0.74190076      1.00000000
O          0.50012645      0.50012277      0.74239652      1.00000000
O          0.50024874      0.83332824      0.74162384      1.00000000
O          0.83312867      0.16669782      0.74188406      1.00000000
O          0.83333336      0.50005471      0.74176004      1.00000000
O          0.83315940      0.83331891      0.74109447      1.00000000
Ca         0.16666712     -0.00011847      0.74287902      1.00000000
Ca         0.16667391      0.33339101      0.74356035      1.00000000
Ca         0.16675085      0.66675318      0.74336182      1.00000000
Ca         0.50003130     -0.00004201      0.74274103      1.00000000
Ca         0.50011059      0.33331904      0.74336809      1.00000000
Ca         0.49999779      0.66678491      0.74248590      1.00000000
Ca         0.83320867     -0.00002677      0.74273224      1.00000000
Ca         0.83324284      0.33344660      0.74332637      1.00000000
Ca         0.83325276      0.66677344      0.74275371      1.00000000
Ca        -0.00015555      0.16663965      0.74375282      1.00000000
Ca        -0.00000400      0.50004705      0.74335454      1.00000000
Ca        -0.00013889      0.83335485      0.74277205      1.00000000
Ca         0.33326406      0.16660147      0.74338837      1.00000000
Ca         0.33336528      0.50002078      0.74324017      1.00000000
Ca         0.33346270      0.83332052      0.74300550      1.00000000
Ca         0.66670873      0.16657680      0.74287818      1.00000000
Ca         0.66657271      0.50020541      0.74274692      1.00000000
Ca         0.66663928      0.83335002      0.74231146      1.00000000
O         -0.00001282      0.16657104      0.50205842      1.00000000
O          0.00023097      0.50001622      0.50199703      1.00000000
O         -0.00001886      0.83334808      0.50120556      1.00000000
O          0.33324494      0.16657900      0.50152631      1.00000000
O          0.33326645      0.50003278      0.50171674      1.00000000
O          0.33320793      0.83344617      0.50125705      1.00000000
O          0.66665468      0.16674908      0.50123617      1.00000000
O          0.66675463      0.50004144      0.50119196      1.00000000
O          0.66661651      0.83331228      0.50002264      1.00000000
O          0.16663126     -0.00017109      0.50161809      1.00000000
O          0.16667608      0.33326175      0.50172144      1.00000000
O          0.16648837      0.66665245      0.50179230      1.00000000
O          0.49995545      0.00006799      0.50124825      1.00000000
O          0.50009572      0.33316284      0.50173095      1.00000000
O          0.50008176      0.66671421      0.50136692      1.00000000
O          0.83335413      0.00001021      0.50123236      1.00000000
O          0.83339284      0.33304904      0.50186969      1.00000000
O          0.83338930      0.66667591      0.50087318      1.00000000
Ca         0.16661501      0.16680438      0.50222820      1.00000000
Ca         0.16669784      0.49993249      0.50178128      1.00000000
Ca         0.16690170      0.83313356      0.50131903      1.00000000
Ca         0.49994041      0.16692870      0.50145102      1.00000000
Ca         0.50005027      0.49988424      0.50137714      1.00000000
Ca         0.50015946      0.83336182      0.50081339      1.00000000
Ca         0.83328874      0.16695853      0.50147018      1.00000000
Ca         0.83344676      0.49993413      0.50187624      1.00000000
Ca         0.83302101      0.83326972      0.50051199      1.00000000
Ca        -0.00012430      0.00012065      0.50171739      1.00000000
Ca         0.00010888      0.33330731      0.50206809      1.00000000
Ca         0.00005634      0.66665680      0.50166033      1.00000000
Ca         0.33331152      0.00011789      0.50157529      1.00000000
Ca         0.33341268      0.33336034      0.50191682      1.00000000
Ca         0.33333638      0.66674184      0.50140473      1.00000000
Ca         0.66660726     -0.00020520      0.50095064      1.00000000
Ca         0.66681078      0.33312640      0.50145492      1.00000000
Ca         0.66676393      0.66691153      0.50070083      1.00000000
O          0.00002830      0.00003302      0.26101647      1.00000000
O          0.00010354      0.33323131      0.26146165      1.00000000
O          0.00012398      0.66645162      0.26076004      1.00000000
O          0.33327737      0.00012743      0.26101110      1.00000000
O          0.33345697      0.33353079      0.26112660      1.00000000
O          0.33340788      0.66660146      0.26106110      1.00000000
O          0.66673735      0.00000084      0.26014827      1.00000000
O          0.66661638      0.33334340      0.26094524      1.00000000
O          0.66667514      0.66653329      0.25975985      1.00000000
O          0.16652404      0.16676551      0.26135813      1.00000000
O          0.16655787      0.49986443      0.26126352      1.00000000
O          0.16682651      0.83312649      0.26095252      1.00000000
O          0.49984588      0.16672316      0.26075536      1.00000000
O          0.50005932      0.49982687      0.26071532      1.00000000
O          0.50002187      0.83342945      0.26006263      1.00000000
O          0.83344833      0.16667677      0.26090860      1.00000000
O          0.83341644      0.50001309      0.26127833      1.00000000
O          0.83333765      0.83337386      0.25961403      1.00000000
Ca         0.16649859     -0.00015229      0.26022111      1.00000000
Ca         0.16671900      0.33325539      0.26040600      1.00000000
Ca         0.16664548      0.66650573      0.26032221      1.00000000
Ca         0.49996815      0.00017427      0.25961992      1.00000000
Ca         0.49988731      0.33352456      0.26028743      1.00000000
Ca         0.49987748      0.66647080      0.25960021      1.00000000
Ca         0.83336763      0.00013051      0.25962271      1.00000000
Ca         0.83351350      0.33348959      0.26044330      1.00000000
Ca         0.83348008      0.66659687      0.25964525      1.00000000
Ca         0.00013258      0.16670513      0.26055730      1.00000000
Ca         0.00017073      0.49973098      0.26062684      1.00000000
Ca         0.00014129      0.83335595      0.25985723      1.00000000
Ca         0.33331619      0.16643999      0.26027568      1.00000000
Ca         0.33335319      0.49988834      0.26031269      1.00000000
Ca         0.33330444      0.83348535      0.25991540      1.00000000
Ca         0.66656024      0.16656058      0.25974595      1.00000000
Ca         0.66667056      0.49985392      0.25988519      1.00000000
Ca         0.66666667      0.83333333      0.25624718      1.00000000
