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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'SYSTEM = test                         '
_cell_length_a                         19.99605
_cell_length_b                         19.99605
_cell_length_c                         10.52792
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      90
_symmetry_space_group_name_H-M         'P 1'
_symmetry_Int_Tables_number            1

loop_
_symmetry_equiv_pos_as_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
   Si1        1.0     0.597748      0.708404      0.864639     Biso  1.000000 Si
   Si2        1.0     0.495374      0.693612      0.767499     Biso  1.000000 Si
   Si3        1.0     0.579991      0.374339      0.867795     Biso  1.000000 Si
   Si4        1.0     0.394531      0.711586      0.870342     Biso  1.000000 Si
   Si5        1.0     0.624642      0.616068      0.330321     Biso  1.000000 Si
   Si6        1.0     0.395096      0.708779      0.239029     Biso  1.000000 Si
   Si7        1.0     0.356117      0.617756      0.344330     Biso  1.000000 Si
   Si8        1.0     0.295058      0.539840      0.238826     Biso  1.000000 Si
   Si9        1.0     0.364407      0.541094      0.051952     Biso  1.000000 Si
   Si10       1.0     0.427387      0.647572      0.052023     Biso  1.000000 Si
   Si11       1.0     0.386777      0.368988      0.232345     Biso  1.000000 Si
   Si12       1.0     0.356792      0.461862      0.344772     Biso  1.000000 Si
   Si13       1.0     0.419363      0.432131      0.045659     Biso  1.000000 Si
   Si14       1.0     0.486911      0.383347      0.330336     Biso  1.000000 Si
   Si15       1.0     0.357331      0.617180      0.771213     Biso  1.000000 Si
   Si16       1.0     0.393022      0.362561      0.864592     Biso  1.000000 Si
   Si17       1.0     0.483842      0.417196      0.762218     Biso  1.000000 Si
   Si18       1.0     0.677336      0.539175      0.867815     Biso  1.000000 Si
   Si19       1.0     0.685224      0.537868      0.218402     Biso  1.000000 Si
   Si20       1.0     0.584583      0.367829      0.218400     Biso  1.000000 Si
   Si21       1.0     0.602895      0.543489      0.053137     Biso  1.000000 Si
   Si22       1.0     0.540200      0.437297      0.053025     Biso  1.000000 Si
   Si23       1.0     0.623993      0.459286      0.324718     Biso  1.000000 Si
   Si24       1.0     0.646235      0.446345      0.749146     Biso  1.000000 Si
   Si25       1.0     0.593265      0.602510      0.762092     Biso  1.000000 Si
   Si26       1.0     0.492007      0.651749      0.557251     Biso  1.000000 Si
   Si27       1.0     0.387119      0.599540      0.558457     Biso  1.000000 Si
   Si28       1.0     0.597909      0.588973      0.542524     Biso  1.000000 Si
   Si29       1.0     0.497851      0.419690      0.542611     Biso  1.000000 Si
   Si30       1.0     0.603913      0.471202      0.543706     Biso  1.000000 Si
   Si31       1.0     0.549333      0.651958      0.045812     Biso  1.000000 Si
   Si32       1.0     0.391941      0.482417      0.557158     Biso  1.000000 Si
   Si33       1.0     0.356816      0.459489      0.767424     Biso  1.000000 Si
   Si34       1.0     0.292443      0.539122      0.870261     Biso  1.000000 Si
   Si35       1.0     0.493199      0.692421      0.344885     Biso  1.000000 Si
   Si36       1.0     0.589063      0.710803      0.232561     Biso  1.000000 Si
   Fe1        1.0     0.555843      0.499729      0.853776     Biso  1.000000 Fe
   Fe2        1.0     0.499692      0.532972      0.650497     Biso  1.000000 Fe
