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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'GO                                    '
_cell_length_a                         4.97624
_cell_length_b                         4.97625
_cell_length_c                         27.54033
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      119.69666
_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     0.583330      0.250000      0.448443     Biso  1.000000 O
   C1         1.0     0.496593      0.336745      0.494489     Biso  1.000000 C
   C2         1.0     0.498679      0.826676      0.502062     Biso  1.000000 C
   C3         1.0     0.006656      0.334653      0.502062     Biso  1.000000 C
   C4         1.0     0.999634      0.833703      0.501385     Biso  1.000000 C
   C5         1.0     0.670073      0.163255      0.494489     Biso  1.000000 C
   C6         1.0     0.667988      0.673324      0.502062     Biso  1.000000 C
   C7         1.0     0.160011      0.165347      0.502062     Biso  1.000000 C
   C8         1.0     0.167033      0.666297      0.501385     Biso  1.000000 C
