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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'SYSTEM = test                         '
_cell_length_a                         19.75309
_cell_length_b                         19.75309
_cell_length_c                         10.86420
_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     0.585303      0.668597      0.904321     Biso  1.000000 Si
   Si2        1.0     0.498393      0.618749      0.783732     Biso  1.000000 Si
   Si3        1.0     0.557790      0.347335      0.882072     Biso  1.000000 Si
   Si4        1.0     0.424229      0.551728      0.881504     Biso  1.000000 Si
   Si5        1.0     0.631509      0.559181      0.368563     Biso  1.000000 Si
   Si6        1.0     0.576940      0.645286      0.265430     Biso  1.000000 Si
   Si7        1.0     0.481481      0.609301      0.368512     Biso  1.000000 Si
   Si8        1.0     0.382427      0.583326      0.262224     Biso  1.000000 Si
   Si9        1.0     0.444668      0.540440      0.090561     Biso  1.000000 Si
   Si10       1.0     0.557708      0.586777      0.074696     Biso  1.000000 Si
   Si11       1.0     0.375866      0.375665      0.267604     Biso  1.000000 Si
   Si12       1.0     0.393887      0.479790      0.365319     Biso  1.000000 Si
   Si13       1.0     0.437169      0.418232      0.093304     Biso  1.000000 Si
   Si14       1.0     0.481651      0.361176      0.363524     Biso  1.000000 Si
   Si15       1.0     0.363243      0.477992      0.765439     Biso  1.000000 Si
   Si16       1.0     0.412852      0.395148      0.882257     Biso  1.000000 Si
   Si17       1.0     0.467027      0.315972      0.761944     Biso  1.000000 Si
   Si18       1.0     0.642369      0.477596      0.881602     Biso  1.000000 Si
   Si19       1.0     0.694556      0.478165      0.263207     Biso  1.000000 Si
   Si20       1.0     0.574704      0.308443      0.268047     Biso  1.000000 Si
   Si21       1.0     0.619612      0.481401      0.090907     Biso  1.000000 Si
   Si22       1.0     0.551823      0.379510      0.093648     Biso  1.000000 Si
   Si23       1.0     0.623076      0.402368      0.365945     Biso  1.000000 Si
   Si24       1.0     0.647846      0.382064      0.764840     Biso  1.000000 Si
   Si25       1.0     0.622490      0.575663      0.783979     Biso  1.000000 Si
   Si26       1.0     0.491772      0.578931      0.578498     Biso  1.000000 Si
   Si27       1.0     0.421806      0.481606      0.577250     Biso  1.000000 Si
   Si28       1.0     0.604555      0.540943      0.578256     Biso  1.000000 Si
   Si29       1.0     0.488326      0.380988      0.578898     Biso  1.000000 Si
   Si30       1.0     0.602069      0.421121      0.577788     Biso  1.000000 Si
   Cr1        1.0     0.514609      0.459824      0.776018     Biso  1.000000 Cr
   Cr2        1.0     0.523956      0.486627      0.283291     Biso  1.000000 Cr
