################################################################################
#                                                                              #
#                                   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           3.251800
_cell_length_b           3.251800
_cell_length_c           5.196900
_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        0.33333000      0.66667000      0.00000000      1.00000000
Zn   Zn2        0.66666000      0.33334000      0.50000000      1.00000000
O    O1         0.33333000      0.66667000      0.38057000      1.00000000
O    O2         0.66666000      0.33334000      0.88057000      1.00000000
