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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'SYSTEM = test                         '
_cell_length_a                         20.02450
_cell_length_b                         20.02450
_cell_length_c                         10.54290
_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     0.590819      0.706958      0.878067     Biso  1.000000 Si
   Si2        1.0     0.492840      0.695845      0.770898     Biso  1.000000 Si
   Si3        1.0     0.587590      0.367124      0.876931     Biso  1.000000 Si
   Si4        1.0     0.395200      0.708939      0.878360     Biso  1.000000 Si
   Si5        1.0     0.627968      0.615964      0.349251     Biso  1.000000 Si
   Si6        1.0     0.394995      0.708593      0.242004     Biso  1.000000 Si
   Si7        1.0     0.355594      0.618366      0.349540     Biso  1.000000 Si
   Si8        1.0     0.295769      0.540081      0.242323     Biso  1.000000 Si
   Si9        1.0     0.367689      0.539305      0.060176     Biso  1.000000 Si
   Si10       1.0     0.430613      0.645970      0.060077     Biso  1.000000 Si
   Si11       1.0     0.391717      0.369414      0.242483     Biso  1.000000 Si
   Si12       1.0     0.353917      0.460506      0.349349     Biso  1.000000 Si
   Si13       1.0     0.428326      0.431193      0.060011     Biso  1.000000 Si
   Si14       1.0     0.489621      0.380673      0.349637     Biso  1.000000 Si
   Si15       1.0     0.355644      0.618669      0.771189     Biso  1.000000 Si
   Si16       1.0     0.391455      0.369103      0.877930     Biso  1.000000 Si
   Si17       1.0     0.489457      0.380137      0.770753     Biso  1.000000 Si
   Si18       1.0     0.686383      0.536220      0.877104     Biso  1.000000 Si
   Si19       1.0     0.686262      0.536276      0.242787     Biso  1.000000 Si
   Si20       1.0     0.587288      0.367315      0.242359     Biso  1.000000 Si
   Si21       1.0     0.614998      0.536671      0.059819     Biso  1.000000 Si
   Si22       1.0     0.552234      0.429776      0.059504     Biso  1.000000 Si
   Si23       1.0     0.626321      0.457889      0.349322     Biso  1.000000 Si
   Si24       1.0     0.626431      0.457914      0.770275     Biso  1.000000 Si
   Si25       1.0     0.627961      0.615783      0.770453     Biso  1.000000 Si
   Si26       1.0     0.491953      0.656107      0.560014     Biso  1.000000 Si
   Si27       1.0     0.389463      0.598219      0.560446     Biso  1.000000 Si
   Si28       1.0     0.593268      0.596185      0.559828     Biso  1.000000 Si
   Si29       1.0     0.489551      0.420719      0.560364     Biso  1.000000 Si
   Si30       1.0     0.592007      0.478543      0.559818     Biso  1.000000 Si
   Si31       1.0     0.554457      0.644780      0.060350     Biso  1.000000 Si
   Si32       1.0     0.388174      0.480420      0.560123     Biso  1.000000 Si
   Si33       1.0     0.353988      0.460393      0.770923     Biso  1.000000 Si
   Si34       1.0     0.296039      0.540117      0.878011     Biso  1.000000 Si
   Si35       1.0     0.492725      0.696043      0.349168     Biso  1.000000 Si
   Si36       1.0     0.590818      0.707320      0.242193     Biso  1.000000 Si
