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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  ''
_cell_length_a                         13.24990
_cell_length_b                         13.24990
_cell_length_c                         17.00000
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      120
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_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     0.090157      0.178873      0.949379     Biso  1.000000 Si
   Si2        1.0     0.590157      0.178873      0.050621     Biso  1.000000 Si
   Si3        1.0     0.090157      0.678873      0.050621     Biso  1.000000 Si
   Si4        1.0     0.590157      0.678873      0.949379     Biso  1.000000 Si
   Si5        1.0     0.405852      0.353649      0.069812     Biso  1.000000 Si
   Si6        1.0     0.905852      0.353649      0.930188     Biso  1.000000 Si
   Si7        1.0     0.405852      0.853649      0.930188     Biso  1.000000 Si
   Si8        1.0     0.905852      0.853649      0.069812     Biso  1.000000 Si
   Si9        1.0     0.324025      0.412708      0.973701     Biso  1.000000 Si
   Si10       1.0     0.824025      0.412708      0.026299     Biso  1.000000 Si
   Si11       1.0     0.324025      0.912708      0.026299     Biso  1.000000 Si
   Si12       1.0     0.824025      0.912708      0.973701     Biso  1.000000 Si
   Si13       1.0     0.190795      0.077448      0.942292     Biso  1.000000 Si
   Si14       1.0     0.690795      0.077448      0.057708     Biso  1.000000 Si
   Si15       1.0     0.190795      0.577448      0.057708     Biso  1.000000 Si
   Si16       1.0     0.690795      0.577448      0.942292     Biso  1.000000 Si
   Si17       1.0     0.088105      0.412686      0.981577     Biso  1.000000 Si
   Si18       1.0     0.588105      0.412686      0.018423     Biso  1.000000 Si
   Si19       1.0     0.088105      0.912686      0.018423     Biso  1.000000 Si
   Si20       1.0     0.588105      0.912686      0.981577     Biso  1.000000 Si
   Si21       1.0     0.408945      0.071472      0.110555     Biso  1.000000 Si
   Si22       1.0     0.908945      0.071472      0.889445     Biso  1.000000 Si
   Si23       1.0     0.408945      0.571472      0.889445     Biso  1.000000 Si
   Si24       1.0     0.908945      0.571472      0.110555     Biso  1.000000 Si
   Si25       1.0     0.326912      0.159508      0.039439     Biso  1.000000 Si
   Si26       1.0     0.826912      0.159508      0.960561     Biso  1.000000 Si
   Si27       1.0     0.326912      0.659508      0.960561     Biso  1.000000 Si
   Si28       1.0     0.826912      0.659508      0.039439     Biso  1.000000 Si
   C1         1.0     0.165211      0.333657      0.965355     Biso  1.000000 C
   C2         1.0     0.665211      0.333657      0.034645     Biso  1.000000 C
   C3         1.0     0.165211      0.833657      0.034645     Biso  1.000000 C
   C4         1.0     0.665211      0.833657      0.965355     Biso  1.000000 C
