################################################################################
#                                                                              #
#                                   SAINT                                      #
#    Surface and Interface Toolkit for the Materials Chemistry Community       #
#                           saint.chem.ucl.ac.uk                               #
#                                                                              #
################################################################################
data_input

_audit_creation_method             'Generated using SAINT'

_cell_length_a           3.249860
_cell_length_b           3.249860
_cell_length_c           5.206620
_cell_angle_alpha       90.000000
_cell_angle_beta        90.000000
_cell_angle_gamma      120.000000

_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
_atom_site_occupancy
Zn   Zn1        0.66670000      0.33340000      0.50000000      1.00000000
Zn   Zn1        0.66660000      0.33330000      0.50000000      1.00000000
Zn   Zn1        0.66670000      0.33330000      0.50000000      1.00000000
Zn   Zn1        0.33330000      0.66660000      0.00000000      1.00000000
Zn   Zn1        0.33340000      0.66670000      0.00000000      1.00000000
Zn   Zn1        0.33330000      0.66670000      0.00000000      1.00000000
O    O1         0.66670000      0.33340000      0.88250000      1.00000000
O    O1         0.66660000      0.33330000      0.88250000      1.00000000
O    O1         0.66670000      0.33330000      0.88250000      1.00000000
O    O1         0.33330000      0.66660000      0.38250000      1.00000000
O    O1         0.33340000      0.66670000      0.38250000      1.00000000
O    O1         0.33330000      0.66670000      0.38250000      1.00000000
