# CIF generated by HEAS from Alexandria entry agm005806839 data_agm005806839 _cell_length_a 8.27133 _cell_length_b 8.27133 _cell_length_c 8.27133 _cell_angle_alpha 107.59904 _cell_angle_beta 107.59904 _cell_angle_gamma 107.59904 _cell_volume 463.35588 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr1 Zr 0.96153 0.64279 0.87925 1.00000 Zr2 Zr 0.35721 0.12075 0.03847 1.00000 Zr3 Zr 0.12075 0.03847 0.35721 1.00000 Zr4 Zr 0.50000 0.50000 0.50000 1.00000 Zr5 Zr 0.87925 0.96153 0.64279 1.00000 Zr6 Zr 0.64279 0.87925 0.96153 1.00000 Zr7 Zr 0.03847 0.35721 0.12075 1.00000 P1 P 0.00000 0.00000 0.00000 1.00000 S1 S 0.92352 0.30980 0.77694 1.00000 S2 S 0.69020 0.22306 0.07648 1.00000 S3 S 0.45532 0.15674 0.37851 1.00000 S4 S 0.84326 0.62149 0.54468 1.00000 S5 S 0.22306 0.07648 0.69020 1.00000 S6 S 0.62149 0.54468 0.84326 1.00000 S7 S 0.37851 0.45532 0.15674 1.00000 S8 S 0.77694 0.92352 0.30980 1.00000 S9 S 0.15674 0.37851 0.45532 1.00000 S10 S 0.54468 0.84326 0.62149 1.00000 S11 S 0.30980 0.77694 0.92352 1.00000 S12 S 0.07648 0.69020 0.22306 1.00000