data_global _amcsd_formula_title 'ZrOS' loop_ _publ_author_name 'Wyckoff R W G' _journal_name_full 'Crystal Structures' _journal_volume 1 _journal_year 1963 _journal_page_first 239 _journal_page_last 444 _publ_section_title ; Second edition. Interscience Publishers, New York, New York Distorted fluorite structure ; _database_code_amcsd 0011749 _chemical_formula_sum 'Zr O S' _cell_length_a 5.696 _cell_length_b 5.696 _cell_length_c 5.696 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 184.803 _exptl_crystal_density_diffrn 5.006 _symmetry_space_group_name_H-M 'P 21 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Zr 0.30700 0.30700 0.30700 O 0.92800 0.92800 0.92800 S 0.57200 0.57200 0.57200