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 0.00 0.00 0.00 1 0 W1 W 4 0.34 0.34 0.34 1 0 W2 W 4 0.60 0.60 0.60 1 0 O1 O 12 0.21 0.44 0.45 1 0 O2 O 12 0.79 0.57 0.56 1 0 O3 O 4 0.49 0.49 0.49 1 0 O4 O 4 0.23 0.23 0.23 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 0.0127 0.0127 0.0127 0.000 0.000 0.000 W1 0.0127 0.0127 0.0127 0.000 0.000 0.000 W2 0.0127 0.0127 0.0127 0.000 0.000 0.000 O1 0.0127 0.0127 0.0127 0.000 0.000 0.000 O2 0.0127 0.0127 0.0127 0.000 0.000 0.000 O3 0.0127 0.0127 0.0127 0.000 0.000 0.000 O4 0.0127 0.0127 0.0127 0.000 0.000 0.000