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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  ''
_cell_length_a                         10.29671
_cell_length_b                         10.29671
_cell_length_c                         18.00177
_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
   C1         1.0     0.077640      0.151646      0.987901     Biso  1.000000 C
   C2         1.0     0.577640      0.151646      0.012099     Biso  1.000000 C
   C3         1.0     0.077640      0.651646      0.012099     Biso  1.000000 C
   C4         1.0     0.577640      0.651646      0.987901     Biso  1.000000 C
   C5         1.0     0.417280      0.336384      0.008041     Biso  1.000000 C
   C6         1.0     0.917280      0.336384      0.991959     Biso  1.000000 C
   C7         1.0     0.417280      0.836384      0.991959     Biso  1.000000 C
   C8         1.0     0.917280      0.836384      0.008041     Biso  1.000000 C
   C9         1.0     0.348354      0.422360      0.987901     Biso  1.000000 C
   C10        1.0     0.848354      0.422360      0.012099     Biso  1.000000 C
   C11        1.0     0.348354      0.922360      0.012099     Biso  1.000000 C
   C12        1.0     0.848354      0.922360      0.987901     Biso  1.000000 C
   C13        1.0     0.163616      0.082720      0.008041     Biso  1.000000 C
   C14        1.0     0.663616      0.082720      0.991959     Biso  1.000000 C
   C15        1.0     0.163616      0.582720      0.991959     Biso  1.000000 C
   C16        1.0     0.663616      0.582720      0.008041     Biso  1.000000 C
   C17        1.0     0.073654      0.426346      0.974204     Biso  1.000000 C
   C18        1.0     0.573654      0.426346      0.025796     Biso  1.000000 C
   C19        1.0     0.073654      0.926346      0.025796     Biso  1.000000 C
   C20        1.0     0.573654      0.926346      0.974204     Biso  1.000000 C
   C21        1.0     0.417306      0.082694      0.010094     Biso  1.000000 C
   C22        1.0     0.917306      0.082694      0.989906     Biso  1.000000 C
   C23        1.0     0.417306      0.582694      0.989906     Biso  1.000000 C
   C24        1.0     0.917306      0.582694      0.010094     Biso  1.000000 C
   C25        1.0     0.333264      0.166736      0.009653     Biso  1.000000 C
   C26        1.0     0.833265      0.166736      0.990347     Biso  1.000000 C
   C27        1.0     0.333264      0.666736      0.990347     Biso  1.000000 C
   C28        1.0     0.833265      0.666736      0.009653     Biso  1.000000 C
   Si1        1.0     0.168884      0.331116      0.949875     Biso  1.000000 Si
   Si2        1.0     0.668884      0.331116      0.050125     Biso  1.000000 Si
   Si3        1.0     0.168884      0.831116      0.050125     Biso  1.000000 Si
   Si4        1.0     0.668884      0.831116      0.949875     Biso  1.000000 Si
