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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'SYSTEM = test                         '
_cell_length_a                         19.84399
_cell_length_b                         19.84399
_cell_length_c                         10.91419
_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     0.574876      0.643805      0.889371     Biso  1.000000 Si
   Si2        1.0     0.481574      0.607146      0.784038     Biso  1.000000 Si
   Si3        1.0     0.574502      0.316533      0.888925     Biso  1.000000 Si
   Si4        1.0     0.385029      0.580679      0.888861     Biso  1.000000 Si
   Si5        1.0     0.628395      0.559173      0.363494     Biso  1.000000 Si
   Si6        1.0     0.574668      0.643551      0.257925     Biso  1.000000 Si
   Si7        1.0     0.481345      0.606978      0.363008     Biso  1.000000 Si
   Si8        1.0     0.384714      0.580777      0.258059     Biso  1.000000 Si
   Si9        1.0     0.437500      0.542006      0.073494     Biso  1.000000 Si
   Si10       1.0     0.554481      0.580550      0.073497     Biso  1.000000 Si
   Si11       1.0     0.385307      0.381044      0.258223     Biso  1.000000 Si
   Si12       1.0     0.389136      0.480908      0.363293     Biso  1.000000 Si
   Si13       1.0     0.437611      0.419107      0.073256     Biso  1.000000 Si
   Si14       1.0     0.481493      0.353750      0.363069     Biso  1.000000 Si
   Si15       1.0     0.389244      0.480823      0.783721     Biso  1.000000 Si
   Si16       1.0     0.385046      0.380885      0.888570     Biso  1.000000 Si
   Si17       1.0     0.481366      0.353766      0.783832     Biso  1.000000 Si
   Si18       1.0     0.689305      0.480034      0.888274     Biso  1.000000 Si
   Si19       1.0     0.689472      0.480100      0.258778     Biso  1.000000 Si
   Si20       1.0     0.574576      0.316426      0.257857     Biso  1.000000 Si
   Si21       1.0     0.625434      0.480097      0.073583     Biso  1.000000 Si
   Si22       1.0     0.554262      0.379740      0.073463     Biso  1.000000 Si
   Si23       1.0     0.628195      0.401090      0.363099     Biso  1.000000 Si
   Si24       1.0     0.628148      0.401087      0.783446     Biso  1.000000 Si
   Si25       1.0     0.628501      0.559309      0.783613     Biso  1.000000 Si
   Si26       1.0     0.490519      0.576693      0.573498     Biso  1.000000 Si
   Si27       1.0     0.419961      0.480568      0.573486     Biso  1.000000 Si
   Si28       1.0     0.603946      0.539843      0.573523     Biso  1.000000 Si
   Si29       1.0     0.490121      0.384233      0.573448     Biso  1.000000 Si
   Si30       1.0     0.603706      0.420711      0.573285     Biso  1.000000 Si
