
#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'ICDD_1000K_43                         '
_cell_length_a                         12.308762
_cell_length_b                         12.308874
_cell_length_c                         25.438904
_cell_angle_alpha                      89.999931
_cell_angle_beta                       90.000923
_cell_angle_gamma                      119.999451
_cell_volume                           3337.829275
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   Ba1        1.0     0.999720     0.000461     0.161597    Biso  1.000000 Ba
   Ba2        1.0     0.166079     0.333554     0.828905    Biso  1.000000 Ba
   Ba3        1.0     0.833494     0.166821     0.496166    Biso  1.000000 Ba
   Ba4        1.0     0.000837     0.000326     0.999314    Biso  1.000000 Ba
   Ba5        1.0     0.168343     0.334337     0.665976    Biso  1.000000 Ba
   Ba6        1.0     0.833354     0.166528     0.332196    Biso  1.000000 Ba
   Ba7        1.0     0.000881     0.998850     0.587861    Biso  1.000000 Ba
   Ba8        1.0     0.165520     0.332429     0.252098    Biso  1.000000 Ba
   Ba9        1.0     0.834030     0.167605     0.919548    Biso  1.000000 Ba
   Ba10       1.0     0.500064     0.499862     0.161575    Biso  1.000000 Ba
   Ba11       1.0     0.666756     0.833571     0.829090    Biso  1.000000 Ba
   Ba12       1.0     0.333417     0.667847     0.495871    Biso  1.000000 Ba
   Ba13       1.0     0.499436     0.499384     0.999165    Biso  1.000000 Ba
   Ba14       1.0     0.666578     0.832117     0.666054    Biso  1.000000 Ba
   Ba15       1.0     0.332830     0.667077     0.331820    Biso  1.000000 Ba
   Ba16       1.0     0.500400     0.500104     0.574637    Biso  1.000000 Ba
   Ba17       1.0     0.667379     0.834511     0.251604    Biso  1.000000 Ba
   Ba18       1.0     0.332564     0.666067     0.917436    Biso  1.000000 Ba
   Ba19       1.0     0.999388     0.499042     0.161659    Biso  1.000000 Ba
   Ba20       1.0     0.166323     0.832586     0.828912    Biso  1.000000 Ba
   Ba21       1.0     0.834476     0.666641     0.495834    Biso  1.000000 Ba
   Ba22       1.0     0.000343     0.500103     0.999544    Biso  1.000000 Ba
   Ba23       1.0     0.166499     0.833609     0.666145    Biso  1.000000 Ba
   Ba24       1.0     0.834405     0.667180     0.331847    Biso  1.000000 Ba
   Ba25       1.0     0.000967     0.502119     0.589779    Biso  1.000000 Ba
   Ba26       1.0     0.166806     0.833456     0.243484    Biso  1.000000 Ba
   Ba27       1.0     0.833682     0.666375     0.919330    Biso  1.000000 Ba
   Ba28       1.0     0.500902     0.000228     0.161596    Biso  1.000000 Ba
   Ba29       1.0     0.667677     0.334044     0.828976    Biso  1.000000 Ba
   Ba30       1.0     0.332334     0.165513     0.495741    Biso  1.000000 Ba
   Ba31       1.0     0.499586     0.000413     0.999362    Biso  1.000000 Ba
   Ba32       1.0     0.665728     0.334023     0.666040    Biso  1.000000 Ba
   Ba33       1.0     0.332971     0.165414     0.331718    Biso  1.000000 Ba
   Ba34       1.0     0.498295     0.999476     0.589890    Biso  1.000000 Ba
   Ba35       1.0     0.667119     0.332437     0.252424    Biso  1.000000 Ba
   Ba36       1.0     0.333241     0.166965     0.911333    Biso  1.000000 Ba
   Y1         1.0     0.000283     0.000270     0.737459    Biso  1.000000 Y
   Y2         1.0     0.166627     0.332749     0.402699    Biso  1.000000 Y
   Y3         1.0     0.833403     0.166581     0.069992    Biso  1.000000 Y
   Y4         1.0     0.000718     0.999549     0.297728    Biso  1.000000 Y
   Y5         1.0     0.167157     0.332858     0.965098    Biso  1.000000 Y
   Y6         1.0     0.833636     0.166811     0.632441    Biso  1.000000 Y
   Y7         1.0     0.999963     0.999815     0.423503    Biso  1.000000 Y
   Y8         1.0     0.166662     0.333222     0.090847    Biso  1.000000 Y
   Y9         1.0     0.833329     0.166750     0.758040    Biso  1.000000 Y
   Y10        1.0     0.998980     0.999314     0.862679    Biso  1.000000 Y
   Y11        1.0     0.165097     0.333070     0.528542    Biso  1.000000 Y
   Y12        1.0     0.833433     0.166666     0.195385    Biso  1.000000 Y
   Y13        1.0     0.500083     0.500313     0.736793    Biso  1.000000 Y
   Y14        1.0     0.666206     0.833170     0.402691    Biso  1.000000 Y
   Y15        1.0     0.333240     0.666602     0.069828    Biso  1.000000 Y
   Y16        1.0     0.499962     0.499868     0.297493    Biso  1.000000 Y
   Y17        1.0     0.666456     0.833324     0.965192    Biso  1.000000 Y
   Y18        1.0     0.334734     0.666389     0.632274    Biso  1.000000 Y
   Y19        1.0     0.499991     0.499892     0.422726    Biso  1.000000 Y
   Y20        1.0     0.666703     0.833260     0.090825    Biso  1.000000 Y
   Y21        1.0     0.333731     0.666948     0.758024    Biso  1.000000 Y
   Y22        1.0     0.500504     0.501018     0.862394    Biso  1.000000 Y
   Y23        1.0     0.667626     0.835150     0.528566    Biso  1.000000 Y
   Y24        1.0     0.333523     0.665749     0.195179    Biso  1.000000 Y
   Y25        1.0     0.999936     0.499992     0.737661    Biso  1.000000 Y
   Y26        1.0     0.166824     0.833371     0.402098    Biso  1.000000 Y
   Y27        1.0     0.833295     0.666735     0.069986    Biso  1.000000 Y
   Y28        1.0     0.000416     0.500941     0.297726    Biso  1.000000 Y
   Y29        1.0     0.167446     0.834189     0.964958    Biso  1.000000 Y
   Y30        1.0     0.831748     0.665689     0.632243    Biso  1.000000 Y
   Y31        1.0     0.000209     0.500102     0.423525    Biso  1.000000 Y
   Y32        1.0     0.166815     0.833340     0.090440    Biso  1.000000 Y
   Y33        1.0     0.833336     0.666593     0.758056    Biso  1.000000 Y
   Y34        1.0     0.999796     0.499851     0.862888    Biso  1.000000 Y
   Y35        1.0     0.166905     0.833260     0.528387    Biso  1.000000 Y
   Y36        1.0     0.832313     0.666184     0.195265    Biso  1.000000 Y
   Y37        1.0     0.500087     0.000107     0.737730    Biso  1.000000 Y
   Y38        1.0     0.667277     0.333750     0.402711    Biso  1.000000 Y
   Y39        1.0     0.333549     0.166734     0.069447    Biso  1.000000 Y
   Y40        1.0     0.499110     0.999128     0.297702    Biso  1.000000 Y
   Y41        1.0     0.665780     0.333249     0.965147    Biso  1.000000 Y
   Y42        1.0     0.333717     0.168450     0.632096    Biso  1.000000 Y
   Y43        1.0     0.500092     0.000017     0.423517    Biso  1.000000 Y
   Y44        1.0     0.666568     0.333296     0.090862    Biso  1.000000 Y
   Y45        1.0     0.333215     0.166907     0.757697    Biso  1.000000 Y
   Y46        1.0     0.500882     0.000196     0.862821    Biso  1.000000 Y
   Y47        1.0     0.667447     0.332204     0.528553    Biso  1.000000 Y
   Y48        1.0     0.334163     0.167567     0.195009    Biso  1.000000 Y
   O1         1.0     0.115781     0.449167     0.913825    Biso  1.000000 O
   O2         1.0     0.049974     0.165893     0.913875    Biso  1.000000 O
   O3         1.0     0.333547     0.383666     0.913475    Biso  1.000000 O
   O4         1.0     0.221160     0.223131     0.581156    Biso  1.000000 O
   O5         1.0     0.779893     0.999456     0.581398    Biso  1.000000 O
   O6         1.0     0.000997     0.280635     0.581478    Biso  1.000000 O
   O7         1.0     0.884362     0.050975     0.246532    Biso  1.000000 O
   O8         1.0     0.949174     0.333170     0.246527    Biso  1.000000 O
   O9         1.0     0.666969     0.115712     0.246560    Biso  1.000000 O
   O10        1.0     0.283939     0.492258     0.024566    Biso  1.000000 O
   O11        1.0     0.007549     0.291629     0.024481    Biso  1.000000 O
   O12        1.0     0.206981     0.216022     0.025409    Biso  1.000000 O
   O13        1.0     0.875371     0.326258     0.691788    Biso  1.000000 O
   O14        1.0     0.673620     0.049365     0.691700    Biso  1.000000 O
   O15        1.0     0.950839     0.125269     0.692046    Biso  1.000000 O
   O16        1.0     0.041881     0.159124     0.357118    Biso  1.000000 O
   O17        1.0     0.341627     0.382318     0.357540    Biso  1.000000 O
   O18        1.0     0.117502     0.458184     0.357033    Biso  1.000000 O
   O19        1.0     0.715639     0.008885     0.134161    Biso  1.000000 O
   O20        1.0     0.990905     0.206330     0.134039    Biso  1.000000 O
   O21        1.0     0.793794     0.284275     0.133953    Biso  1.000000 O
   O22        1.0     0.959740     0.342264     0.801453    Biso  1.000000 O
   O23        1.0     0.657496     0.118100     0.801231    Biso  1.000000 O
   O24        1.0     0.882079     0.039623     0.801306    Biso  1.000000 O
   O25        1.0     0.125409     0.176064     0.466808    Biso  1.000000 O
   O26        1.0     0.325437     0.448875     0.467911    Biso  1.000000 O
   O27        1.0     0.050516     0.373109     0.466154    Biso  1.000000 O
   O28        1.0     0.617366     0.951038     0.913992    Biso  1.000000 O
   O29        1.0     0.549337     0.666818     0.913773    Biso  1.000000 O
   O30        1.0     0.833366     0.882870     0.913876    Biso  1.000000 O
   O31        1.0     0.721394     0.722384     0.580812    Biso  1.000000 O
   O32        1.0     0.278416     0.499432     0.580829    Biso  1.000000 O
   O33        1.0     0.502059     0.779556     0.581309    Biso  1.000000 O
   O34        1.0     0.382257     0.548935     0.246518    Biso  1.000000 O
   O35        1.0     0.449586     0.832246     0.246489    Biso  1.000000 O
   O36        1.0     0.166797     0.616774     0.246096    Biso  1.000000 O
   O37        1.0     0.784511     0.992044     0.024728    Biso  1.000000 O
   O38        1.0     0.508311     0.792782     0.024963    Biso  1.000000 O
   O39        1.0     0.707945     0.715552     0.024611    Biso  1.000000 O
   O40        1.0     0.376452     0.826811     0.691571    Biso  1.000000 O
   O41        1.0     0.173521     0.550441     0.691280    Biso  1.000000 O
   O42        1.0     0.449986     0.626116     0.693215    Biso  1.000000 O
   O43        1.0     0.540902     0.658110     0.357615    Biso  1.000000 O
   O44        1.0     0.841052     0.882509     0.357181    Biso  1.000000 O
   O45        1.0     0.617494     0.958087     0.357130    Biso  1.000000 O
   O46        1.0     0.214921     0.509562     0.133710    Biso  1.000000 O
   O47        1.0     0.490577     0.705609     0.133917    Biso  1.000000 O
   O48        1.0     0.292984     0.784973     0.134871    Biso  1.000000 O
   O49        1.0     0.459976     0.842332     0.801650    Biso  1.000000 O
   O50        1.0     0.157686     0.617432     0.801581    Biso  1.000000 O
   O51        1.0     0.381411     0.539348     0.801569    Biso  1.000000 O
   O52        1.0     0.623316     0.674313     0.468077    Biso  1.000000 O
   O53        1.0     0.822832     0.949358     0.466383    Biso  1.000000 O
   O54        1.0     0.550437     0.873912     0.466491    Biso  1.000000 O
   O55        1.0     0.116414     0.949751     0.913475    Biso  1.000000 O
   O56        1.0     0.050815     0.666529     0.913908    Biso  1.000000 O
   O57        1.0     0.334120     0.883861     0.913803    Biso  1.000000 O
   O58        1.0     0.223406     0.724037     0.581331    Biso  1.000000 O
   O59        1.0     0.776815     0.498183     0.581203    Biso  1.000000 O
   O60        1.0     0.000671     0.776512     0.581165    Biso  1.000000 O
   O61        1.0     0.882831     0.550262     0.246519    Biso  1.000000 O
   O62        1.0     0.949823     0.832991     0.246180    Biso  1.000000 O
   O63        1.0     0.666712     0.617548     0.246515    Biso  1.000000 O
   O64        1.0     0.283598     0.990894     0.025463    Biso  1.000000 O
   O65        1.0     0.007808     0.791446     0.024595    Biso  1.000000 O
   O66        1.0     0.208243     0.716277     0.024841    Biso  1.000000 O
   O67        1.0     0.877330     0.826828     0.691232    Biso  1.000000 O
   O68        1.0     0.676296     0.550496     0.693197    Biso  1.000000 O
   O69        1.0     0.950136     0.623265     0.691312    Biso  1.000000 O
   O70        1.0     0.040247     0.657197     0.358096    Biso  1.000000 O
   O71        1.0     0.342822     0.882966     0.358058    Biso  1.000000 O
   O72        1.0     0.117101     0.959777     0.358142    Biso  1.000000 O
   O73        1.0     0.715278     0.509440     0.133873    Biso  1.000000 O
   O74        1.0     0.991851     0.706943     0.134812    Biso  1.000000 O
   O75        1.0     0.794235     0.784838     0.133867    Biso  1.000000 O
   O76        1.0     0.961045     0.843031     0.801049    Biso  1.000000 O
   O77        1.0     0.657641     0.618738     0.801405    Biso  1.000000 O
   O78        1.0     0.882656     0.540440     0.801480    Biso  1.000000 O
   O79        1.0     0.126990     0.676639     0.466580    Biso  1.000000 O
   O80        1.0     0.323572     0.950301     0.466588    Biso  1.000000 O
   O81        1.0     0.050012     0.873575     0.466833    Biso  1.000000 O
   O82        1.0     0.616464     0.450587     0.913859    Biso  1.000000 O
   O83        1.0     0.549888     0.166806     0.913533    Biso  1.000000 O
   O84        1.0     0.833426     0.384087     0.913953    Biso  1.000000 O
   O85        1.0     0.719941     0.220609     0.581449    Biso  1.000000 O
   O86        1.0     0.275749     0.999398     0.581262    Biso  1.000000 O
   O87        1.0     0.500919     0.278568     0.580811    Biso  1.000000 O
   O88        1.0     0.383534     0.050042     0.246067    Biso  1.000000 O
   O89        1.0     0.450850     0.333119     0.246504    Biso  1.000000 O
   O90        1.0     0.167632     0.116721     0.246488    Biso  1.000000 O
   O91        1.0     0.784438     0.492373     0.024630    Biso  1.000000 O
   O92        1.0     0.508933     0.293109     0.025371    Biso  1.000000 O
   O93        1.0     0.708227     0.215924     0.024485    Biso  1.000000 O
   O94        1.0     0.374689     0.324005     0.693243    Biso  1.000000 O
   O95        1.0     0.173837     0.050576     0.691652    Biso  1.000000 O
   O96        1.0     0.449309     0.122690     0.691301    Biso  1.000000 O
   O97        1.0     0.541999     0.159161     0.356973    Biso  1.000000 O
   O98        1.0     0.840827     0.382513     0.357068    Biso  1.000000 O
   O99        1.0     0.617453     0.458898     0.357491    Biso  1.000000 O
   O100       1.0     0.214757     0.007915     0.134882    Biso  1.000000 O
   O101       1.0     0.490601     0.205126     0.133758    Biso  1.000000 O
   O102       1.0     0.294593     0.285035     0.133927    Biso  1.000000 O
   O103       1.0     0.459911     0.341292     0.802334    Biso  1.000000 O
   O104       1.0     0.158934     0.118192     0.802223    Biso  1.000000 O
   O105       1.0     0.382038     0.040594     0.802084    Biso  1.000000 O
   O106       1.0     0.627125     0.177352     0.466152    Biso  1.000000 O
   O107       1.0     0.823764     0.449590     0.466558    Biso  1.000000 O
   O108       1.0     0.551068     0.376443     0.467987    Biso  1.000000 O
