#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  'New structure                         '
_cell_length_a                         9.80597
_cell_length_b                         9.92645
_cell_length_c                         14.20531
_cell_angle_alpha                      90.49329
_cell_angle_beta                       90.82677
_cell_angle_gamma                      90.02163
_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
   Sn1        1.0    -0.001079      0.489794      0.698162     Biso  1.000000 Sn
   Sn2        1.0     0.500180      0.010154      0.298109     Biso  1.000000 Sn
   Sb1        1.0     0.006598      0.509598      0.211237     Biso  1.000000 Sb
   Sb2        1.0     0.500956      0.984975      0.787219     Biso  1.000000 Sb
   Sb3        1.0    -0.006718      0.998298      0.497914     Biso  1.000000 Sb
   Sb4        1.0     0.500496      0.501806      0.002543     Biso  1.000000 Sb
   S1         1.0     0.006310      0.192353      0.403891     Biso  1.000000 S
   S2         1.0     0.978650      0.803597      0.400913     Biso  1.000000 S
   S3         1.0     0.301915      0.526023      0.907516     Biso  1.000000 S
   S4         1.0     0.703513      0.501132      0.914252     Biso  1.000000 S
   S5         1.0     0.514846      0.705616      0.092116     Biso  1.000000 S
   S6         1.0     0.486897      0.307263      0.093151     Biso  1.000000 S
   S7         1.0     0.190342      0.980859      0.594763     Biso  1.000000 S
   S8         1.0     0.799078      0.009210      0.593914     Biso  1.000000 S
   S9         1.0     0.017830      0.314564      0.116992     Biso  1.000000 S
   S10        1.0     0.005039      0.708247      0.117225     Biso  1.000000 S
   S11        1.0     0.199848      0.506499      0.602022     Biso  1.000000 S
   S12        1.0     0.791699      0.495832      0.601886     Biso  1.000000 S
   S13        1.0     0.503070      0.803920      0.392409     Biso  1.000000 S
   S14        1.0     0.485192      0.207004      0.397536     Biso  1.000000 S
   S15        1.0     0.303667      0.982130      0.881708     Biso  1.000000 S
   S16        1.0     0.699140     -0.009963      0.884244     Biso  1.000000 S
   S17        1.0    -0.007995      0.685466      0.804964     Biso  1.000000 S
   S18        1.0     0.004004      0.288753      0.793598     Biso  1.000000 S
   S19        1.0     0.806622      0.494562      0.301523     Biso  1.000000 S
   S20        1.0     0.196784      0.510226      0.315759     Biso  1.000000 S
   S21        1.0     0.491642      0.188330      0.702370     Biso  1.000000 S
   S22        1.0     0.501305      0.801315      0.679823     Biso  1.000000 S
   S23        1.0     0.700383      0.005449      0.198651     Biso  1.000000 S
   S24        1.0     0.301335     -0.006109      0.193243     Biso  1.000000 S
   Na1        1.0     0.328796      0.722388      0.240928     Biso  1.000000 Na
   Na2        1.0     0.739256      0.277917      0.181976     Biso  1.000000 Na
   Na3        1.0     0.263350      0.702188      0.750085     Biso  1.000000 Na
   Na4        1.0     0.714885      0.664872      0.756792     Biso  1.000000 Na
   Na5        1.0     0.280474      0.271934      0.228068     Biso  1.000000 Na
   Na6        1.0     0.712351      0.741453      0.253729     Biso  1.000000 Na
   Na7        1.0     0.249693      0.769290      0.008683     Biso  1.000000 Na
   Na8        1.0     0.727291      0.266823      0.799580     Biso  1.000000 Na
   Na9        1.0     0.278966      0.267968      0.822284     Biso  1.000000 Na
   Na10       1.0     0.767357      0.756319     -0.002752     Biso  1.000000 Na
   Na11       1.0     0.249693      0.736334      0.486296     Biso  1.000000 Na
   Na12       1.0     0.739822      0.261157      0.488126     Biso  1.000000 Na
   Na13       1.0     0.254562      0.253034      0.518312     Biso  1.000000 Na
   Na14       1.0     0.732817      0.746687      0.512215     Biso  1.000000 Na
   Na15       1.0     0.007995     -0.007750      0.246778     Biso  1.000000 Na
   Na16       1.0    -0.005984     -0.011273      0.749760     Biso  1.000000 Na
   Na17       1.0     0.009132      0.472773      0.950892     Biso  1.000000 Na
   Na18       1.0     0.993508      0.501699      0.457714     Biso  1.000000 Na
   Na19       1.0     0.494531      0.006161      0.539866     Biso  1.000000 Na
   Na20       1.0     0.502953      0.027126      0.044014     Biso  1.000000 Na
