################################################################################
#                                                                              #
#                                   SAINT                                      #
#    Surface and Interface Toolkit for the Materials Chemistry Community       #
#                           saint.chem.ucl.ac.uk                               #
#                          Energy = -179355.80 eV                              #
#                                                                              #
################################################################################
data_surface_model

_audit_creation_method             'Generated using SAINT'

_cell_length_a          8.4220
_cell_length_b          8.4220
_cell_length_c          9.3049
_cell_angle_alpha      90.0000
_cell_angle_beta       90.0000
_cell_angle_gamma      90.0000
_cell_volume            660.00
 
_symmetry_cell_setting               'triclinic'
_symmetry_space_group_name_H-M    'P1       '
_symmetry_Int_Tables_number        1

loop_
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O         0.00001555       -0.00002976        0.72490321    1.0000
O         0.00000186        0.50001480        0.72489250    1.0000
O         0.49999582       -0.00003699        0.72490247    1.0000
O         0.50001247        0.50001535        0.72490936    1.0000
O         0.25001368        0.24999442        0.72490686    1.0000
O         0.25000497        0.74999136        0.72490228    1.0000
O         0.74999684        0.24998870        0.72492717    1.0000
O         0.75000393        0.75000605        0.72481572    1.0000
Mg        0.25002153       -0.00000284        0.71860495    1.0000
Mg        0.25001959        0.49994821        0.71859844    1.0000
Mg        0.75003133        0.00001552        0.71861051    1.0000
Mg        0.75003487        0.49996347        0.71862269    1.0000
Mg        0.00000481        0.24997786        0.71858564    1.0000
Mg        0.00001957        0.74997535        0.71864432    1.0000
Mg        0.50003356        0.24997764        0.71858306    1.0000
Mg        0.50002559        0.74997500        0.71864000    1.0000
O        -0.00000269        0.24998701        0.49361374    1.0000
O         0.00001819        0.74998859        0.49362430    1.0000
O         0.50002661        0.24999292        0.49364268    1.0000
O         0.50000002        0.74997733        0.49362879    1.0000
O         0.25000058        0.00003237        0.49360980    1.0000
O         0.25000618        0.49994785        0.49360307    1.0000
O         0.75002403        0.00004997        0.49359143    1.0000
O         0.75002440        0.49993730        0.49362508    1.0000
Mg        0.25001230        0.24998323        0.49361120    1.0000
Mg        0.25000050        0.74999458        0.49365811    1.0000
Mg        0.75001446        0.24999476        0.49359083    1.0000
Mg        0.75000665        0.74999421        0.49362679    1.0000
Mg        0.00001399       -0.00005509        0.49362083    1.0000
Mg        0.00001456        0.50002590        0.49359804    1.0000
Mg        0.50000303       -0.00005447        0.49362642    1.0000
Mg        0.50000155        0.50002146        0.49362599    1.0000
O         0.00000701       -0.00003533        0.26232135    1.0000
O         0.00001552        0.50000429        0.26231760    1.0000
O         0.50001970       -0.00001972        0.26231277    1.0000
O         0.49999549        0.50000382        0.26234304    1.0000
O         0.25001998        0.24998946        0.26230142    1.0000
O         0.24998930        0.75000036        0.26234764    1.0000
O         0.75003161        0.24998940        0.26227721    1.0000
O         0.75001597        0.74999284        0.26236282    1.0000
Mg        0.24998760        0.00000239        0.26861412    1.0000
Mg        0.24998530        0.50000013        0.26862642    1.0000
Mg        0.74999921        0.00000683        0.26858013    1.0000
Mg        0.74999979        0.49997835        0.26860514    1.0000
Mg        0.00000448        0.24998735        0.26863782    1.0000
Mg       -0.00000196        0.74999287        0.26862376    1.0000
Mg        0.50001336        0.24999492        0.26866792    1.0000
Mg        0.50000000        0.75000000        0.26867502    1.0000
