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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'GO                                    '
_cell_length_a                         4.92486
_cell_length_b                         4.93813
_cell_length_c                         27.60476
_cell_angle_alpha                      90.23537
_cell_angle_beta                       89.85443
_cell_angle_gamma                      120.21278
_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
   O1         1.0     0.581698      0.261871      0.446369     Biso  1.000000 O
   C1         1.0     0.500207      0.334218      0.492612     Biso  1.000000 C
   C2         1.0     0.498876      0.826264      0.502597     Biso  1.000000 C
   C3         1.0     0.004779      0.332209      0.502929     Biso  1.000000 C
   C4         1.0     0.670318      0.163355      0.495180     Biso  1.000000 C
   C5         1.0     0.159176      0.163703      0.502394     Biso  1.000000 C
   C6         1.0     0.167303      0.664090      0.503161     Biso  1.000000 C
   C7         1.0     0.998750      0.832726      0.502723     Biso  1.000000 C
   N1         1.0     0.668890      0.671563      0.503085     Biso  1.000000 N
