################################################################################
#                                                                              #
#                      ( 1 0 0) Surface generated by                           #
#                                    SAINT                                     #
#      Surface and Interface Toolkit for the Materials Chemistry Community     #
#                              saint.chem.ucl.ac.uk                            #
#                                                                              #
################################################################################


data_surface_model

_audit_creation_method             'Generated using SAINT'

_cell_length_a          4.1797
_cell_length_b          2.6669
_cell_length_c         16.2696
_cell_angle_alpha      90.0000
_cell_angle_beta       90.0000
_cell_angle_gamma      90.0000
_cell_volume            181.35
 
_symmetry_cell_setting               'triclinic'
_symmetry_space_group_name_H-M       'P 1'      
_symmetry_Int_Tables_number           1         

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O    O1           0.30620010        0.00000000        0.41608711
Si   Si1          0.50000000        0.50000000        0.36629926
O    O1           0.69380011        0.00000000        0.31651141
O    O1           0.19380011        0.50000000        0.28763549
Si   Si1          0.00000000        0.00000000        0.23784764
O    O1           0.80620011        0.50000000        0.18805980
O    O1           0.30620011        0.00000000        0.15918387
Si   Si1          0.50000000        0.50000000        0.10939603
O    O1           0.69380012        0.00000000        0.05960818
O    O1           0.19380012        0.50000000        0.03073226
