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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'SYSTEM = test                         '
_cell_length_a                         20.14948
_cell_length_b                         20.14948
_cell_length_c                         11.08221
_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     0.541055      0.585649      0.368241     Biso  1.000000 Si
   Si2        1.0     0.471287      0.660698      0.265666     Biso  1.000000 Si
   Si3        1.0     0.613111      0.509035      0.280170     Biso  1.000000 Si
   Si4        1.0     0.545227      0.428993      0.367837     Biso  1.000000 Si
   Si5        1.0     0.532748      0.448301      0.578178     Biso  1.000000 Si
   Si6        1.0     0.529954      0.565383      0.578675     Biso  1.000000 Si
   Si7        1.0     0.400347      0.588306      0.369967     Biso  1.000000 Si
   Si8        1.0     0.353460      0.502129      0.261295     Biso  1.000000 Si
   Si9        1.0     0.405001      0.418718      0.369972     Biso  1.000000 Si
   Si10       1.0     0.412076      0.562460      0.578152     Biso  1.000000 Si
   Si11       1.0     0.414841      0.445214      0.578224     Biso  1.000000 Si
   Si12       1.0     0.479623      0.350197      0.266023     Biso  1.000000 Si
   Si13       1.0     0.584108      0.508231      0.896437     Biso  1.000000 Si
   Si14       1.0     0.540940      0.595067      0.785176     Biso  1.000000 Si
   Si15       1.0     0.466506      0.661926      0.892792     Biso  1.000000 Si
   Si16       1.0     0.402131      0.582038      0.789164     Biso  1.000000 Si
   Si17       1.0     0.406574      0.424946      0.789538     Biso  1.000000 Si
   Si18       1.0     0.335257      0.501704      0.878979     Biso  1.000000 Si
   Si19       1.0     0.474872      0.348230      0.892649     Biso  1.000000 Si
   Si20       1.0     0.545801      0.419031      0.785004     Biso  1.000000 Si
   Si21       1.0     0.470557      0.595835      0.079062     Biso  1.000000 Si
   Si22       1.0     0.394719      0.503467      0.063776     Biso  1.000000 Si
   Si23       1.0     0.474865      0.414612      0.079108     Biso  1.000000 Si
   Si24       1.0     0.550313      0.506982      0.098417     Biso  1.000000 Si
