data_ZnO
_chemical_name_systematic 'Zinc oxide'
_chemical_formula_structural 'Zn O'
_cell_length_a 3.24989
_cell_length_b 3.24989
_cell_length_c 5.20653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'P 63 m c'
_symmetry_Int_Tables_number 186
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+ 2
O2- -2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy

Zn Zn2+ 2 b 0.3333 0.6667 0      1.0
O  O2-  2 b 0.3333 0.6667 0.3825 1.0




