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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'SYSTEM = test                         '
_cell_length_a                         20.19750
_cell_length_b                         20.19750
_cell_length_c                         10.69458
_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     0.599941      0.602568      0.386048     Biso  1.000000 Si
   Si2        1.0     0.494776      0.605784      0.293660     Biso  1.000000 Si
   Si3        1.0     0.603153      0.498345      0.290172     Biso  1.000000 Si
   Si4        1.0     0.608190      0.396941      0.395057     Biso  1.000000 Si
   Si5        1.0     0.564985      0.443073      0.577173     Biso  1.000000 Si
   Si6        1.0     0.563110      0.560630      0.574996     Biso  1.000000 Si
   Si7        1.0     0.391772      0.603050      0.394983     Biso  1.000000 Si
   Si8        1.0     0.396795      0.501651      0.290168     Biso  1.000000 Si
   Si9        1.0     0.400049      0.397441      0.386064     Biso  1.000000 Si
   Si10       1.0     0.434939      0.556967      0.577165     Biso  1.000000 Si
   Si11       1.0     0.436829      0.439418      0.574982     Biso  1.000000 Si
   Si12       1.0     0.505199      0.394169      0.293717     Biso  1.000000 Si
   Si13       1.0     0.642799      0.505454      0.885555     Biso  1.000000 Si
   Si14       1.0     0.567846      0.578066      0.790407     Biso  1.000000 Si
   Si15       1.0     0.495871      0.649667      0.895147     Biso  1.000000 Si
   Si16       1.0     0.425098      0.574886      0.793473     Biso  1.000000 Si
   Si17       1.0     0.432098      0.422006      0.790410     Biso  1.000000 Si
   Si18       1.0     0.357138      0.494530      0.885758     Biso  1.000000 Si
   Si19       1.0     0.504048      0.350381      0.895154     Biso  1.000000 Si
   Si20       1.0     0.574829      0.425103      0.793353     Biso  1.000000 Si
   Si21       1.0     0.501157      0.586417      0.077184     Biso  1.000000 Si
   Si22       1.0     0.412702      0.493573      0.074839     Biso  1.000000 Si
   Si23       1.0     0.498932      0.413599      0.077187     Biso  1.000000 Si
   Si24       1.0     0.587348      0.506395      0.074790     Biso  1.000000 Si
   Cr1        1.0     0.500000      0.500000      0.410129     Biso  1.000000 Cr
   Cr2        1.0     0.500000      0.500000      0.910025     Biso  1.000000 Cr
