data_mcm70 _cell_length_a 13.3167(1) _cell_length_b 4.6604(1) _cell_length_c 8.7000(1) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _symmetry_space_group_name_H-M 'P m n 21' _symmetry_Int_Tables_number 31 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz '+x,+y,+z' '1/2-x,-y,1/2+z' '1/2+x,-y,1/2+z' '-x,+y,+z' _pd_proc_ls_prof_wR_factor 0.135 _pd_proc_ls_prof_wR_expected 0.047 _refine_ls_R_factor 0.072 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy Si1 Si 4 0.2051(3) 0.6366(8) 0.3318(8) 0.014(1) 1.00 Si2 Si 4 0.2977(3) 0.1346(8) 0.1726(8) 0.014 1.00 Si3 Si 2 0.5 0.5817(9) -0.084(1) 0.014 1.00 B4 B 2 0.0 0.918(2) 0.603(1) 0.014 1.00 O1 O 4 0.0944(4) 0.512(1) 0.315(1) 0.009(1) 1.00 O2 O 4 0.2135(5) 0.896(1) 0.208(1) 0.009 1.00 O3 O 2 0.5 0.923(1) -0.043(1) 0.009 1.00 O4 O 4 0.2886(6) 0.407(1) 0.294(1) 0.009 1.00 O5 O 4 0.2733(3) 0.251(2) 0.0 0.009 1.00 O6 O 4 0.4101(4) 0.007(1) 0.194(1) 0.009 1.00 O7 O 2 0.5 0.402(2) 0.070(1) 0.009 1.00 K1 K 2 0.0 0.477(2) -0.107(2) 0.054(1) 0.58(1) K2 K 2 0.0 0.045(2) 0.112(2) 0.054 0.42 Ow2 O 2 0.0 0.477 -0.107 0.054 0.42 Ow1 O 2 0.0 0.045 0.112 0.054 0.58