data_structure _chemical_name_mineral cubic-ZrW2O8 _cell_length_a 9.155285 _cell_length_b 9.155285 _cell_length_c 9.155285 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 767.389 _symmetry_space_group_name_H-M P213 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z ' '-x+1/2, -y, z+1/2 ' '-y, z+1/2, -x+1/2 ' '-y+1/2, -z, x+1/2 ' '-z, x+1/2, -y+1/2 ' '-z+1/2, -x, y+1/2 ' 'z, x, y ' 'z+1/2, -x+1/2, -y ' 'y, z, x ' 'y+1/2, -z+1/2, -x ' '-x, y+1/2, -z+1/2 ' 'x+1/2, -y+1/2, -z ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv Zr1 Zr 4 0.00122 0.00122 0.00122 1 0 W1 W 4 0.34111 0.34111 0.34111 1 0 W2 W 4 0.60033 0.60033 0.60033 1 0 O1 O 12 0.20651 0.43798 0.44712 1 0 O2 O 12 0.78717 0.56882 0.55647 1 0 O3 O 4 0.49155 0.49155 0.49155 1 0 O4 O 4 0.23306 0.23306 0.23306 1 0 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Zr1 0.0115 0.0115 0.0115 0.002 0.002 0.002 W1 0.0184 0.0184 0.0184 0.0032 0.0032 0.0032 W2 0.0101 0.0101 0.0101 -0.0009 -0.0009 -0.0009 O1 0.014 0.031 0.0257 0.0066 0.0056 -0.0002 O2 0.0128 0.0268 0.019 0.006 0.005 0.0016 O3 0.0265 0.0265 0.0265 -0.007849688 -0.007849688 -0.007849688 O4 0.0379 0.0379 0.0379 -0.0094 -0.0094 -0.0094