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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'SYSTEM = test                         '
_cell_length_a                         19.90522
_cell_length_b                         19.90522
_cell_length_c                         10.48010
_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     0.592487      0.709380      0.879917     Biso  1.000000 Si
   Si2        1.0     0.492692      0.688813      0.778510     Biso  1.000000 Si
   Si3        1.0     0.589489      0.363878      0.879892     Biso  1.000000 Si
   Si4        1.0     0.393271      0.711495      0.879468     Biso  1.000000 Si
   Si5        1.0     0.624486      0.612764      0.343251     Biso  1.000000 Si
   Si6        1.0     0.393695      0.711199      0.239246     Biso  1.000000 Si
   Si7        1.0     0.360254      0.616109      0.343540     Biso  1.000000 Si
   Si8        1.0     0.293400      0.540193      0.240216     Biso  1.000000 Si
   Si9        1.0     0.368392      0.539157      0.058807     Biso  1.000000 Si
   Si10       1.0     0.430862      0.645042      0.058819     Biso  1.000000 Si
   Si11       1.0     0.390579      0.366978      0.239243     Biso  1.000000 Si
   Si12       1.0     0.358560      0.462734      0.343124     Biso  1.000000 Si
   Si13       1.0     0.428822      0.431971      0.058439     Biso  1.000000 Si
   Si14       1.0     0.489935      0.384713      0.343333     Biso  1.000000 Si
   Si15       1.0     0.361374      0.614623      0.778544     Biso  1.000000 Si
   Si16       1.0     0.389926      0.366258      0.878997     Biso  1.000000 Si
   Si17       1.0     0.490078      0.386830      0.778894     Biso  1.000000 Si
   Si18       1.0     0.690668      0.535859      0.879898     Biso  1.000000 Si
   Si19       1.0     0.689662      0.535638      0.239438     Biso  1.000000 Si
   Si20       1.0     0.588901      0.364755      0.239458     Biso  1.000000 Si
   Si21       1.0     0.614225      0.536421      0.058887     Biso  1.000000 Si
   Si22       1.0     0.551783      0.430551      0.058808     Biso  1.000000 Si
   Si23       1.0     0.623043      0.459791      0.343361     Biso  1.000000 Si
   Si24       1.0     0.621293      0.460933      0.779236     Biso  1.000000 Si
   Si25       1.0     0.622789      0.612034      0.778951     Biso  1.000000 Si
   Si26       1.0     0.492920      0.658041      0.560089     Biso  1.000000 Si
   Si27       1.0     0.388292      0.599001      0.560316     Biso  1.000000 Si
   Si28       1.0     0.596432      0.596780      0.560283     Biso  1.000000 Si
   Si29       1.0     0.490518      0.417410      0.560203     Biso  1.000000 Si
   Si30       1.0     0.595302      0.476466      0.560403     Biso  1.000000 Si
   Si31       1.0     0.553816      0.643509      0.059120     Biso  1.000000 Si
   Si32       1.0     0.387091      0.478706      0.560029     Biso  1.000000 Si
   Si33       1.0     0.359942      0.463814      0.778340     Biso  1.000000 Si
   Si34       1.0     0.292003      0.539853      0.879433     Biso  1.000000 Si
   Si35       1.0     0.492564      0.690766      0.343271     Biso  1.000000 Si
   Si36       1.0     0.592031      0.708422      0.239670     Biso  1.000000 Si
   Cr1        1.0     0.491773      0.537632      0.708048     Biso  1.000000 Cr
   Cr2        1.0     0.491896      0.537657      0.422068     Biso  1.000000 Cr
