# CIF file created by FINDSYM, version 6.0 data_findsym-output _audit_creation_method FINDSYM _cell_length_a 21.7948500000 _cell_length_b 21.7948500000 _cell_length_c 7.0185200000 _cell_angle_alpha 90.0000000000 _cell_angle_beta 90.0000000000 _cell_angle_gamma 120.0000000000 _cell_volume 2887.2470234987 _symmetry_space_group_name_H-M "P 31 2 1" _symmetry_Int_Tables_number 152 _space_group.reference_setting '152:P 31 2"' _space_group.transform_Pp_abc a,b,c;0,0,0 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -y,x-y,z+1/3 3 -x+y,-x,z+2/3 4 x-y,-y,-z+2/3 5 y,x,-z 6 -x,-x+y,-z+1/3 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_fract_symmform Mg1 Mg 6 c 0.60165 0.28902 0.83263 1.00000 Dx,Dy,Dz O1 O 6 c 0.62615 0.23168 0.01951 1.00000 Dx,Dy,Dz O2 O 6 c 0.63395 0.29101 0.37329 1.00000 Dx,Dy,Dz O3 O 6 c 0.56539 0.21867 0.60576 1.00000 Dx,Dy,Dz O4 O 6 c 0.49728 0.75062 0.37696 1.00000 Dx,Dy,Dz O5 O 6 c 0.57729 0.85291 0.52480 1.00000 Dx,Dy,Dz O6 O 6 c 0.64355 -0.00147 0.58600 1.00000 Dx,Dy,Dz H1 H 6 c 0.51575 0.09702 0.54108 1.00000 Dx,Dy,Dz H2 H 6 c 0.48476 -0.00500 -0.00357 1.00000 Dx,Dy,Dz H3 H 6 c 0.55828 0.11143 0.84670 1.00000 Dx,Dy,Dz H4 H 6 c 0.54951 0.85690 -0.09093 1.00000 Dx,Dy,Dz H5 H 6 c 0.58023 0.79516 0.66870 1.00000 Dx,Dy,Dz H6 H 6 c 0.52492 0.71647 0.76250 1.00000 Dx,Dy,Dz H7 H 6 c 0.61392 0.68376 0.80225 1.00000 Dx,Dy,Dz H8 H 6 c 0.60398 0.70308 0.56213 1.00000 Dx,Dy,Dz H9 H 6 c 0.60012 -0.09460 0.20588 1.00000 Dx,Dy,Dz H10 H 6 c 0.69061 0.87540 0.09745 1.00000 Dx,Dy,Dz H11 H 6 c 0.68065 0.89241 0.85791 1.00000 Dx,Dy,Dz H12 H 6 c 0.77936 0.86519 0.88925 1.00000 Dx,Dy,Dz H13 H 6 c 0.72192 0.78448 0.00373 1.00000 Dx,Dy,Dz H14 H 6 c 0.71009 0.82296 0.58871 1.00000 Dx,Dy,Dz H15 H 6 c 0.73372 0.76016 0.66373 1.00000 Dx,Dy,Dz H16 H 6 c 0.49102 0.77433 0.01804 1.00000 Dx,Dy,Dz H17 H 6 c 0.59012 0.75026 0.06469 1.00000 Dx,Dy,Dz H18 H 6 c 0.62472 -0.05167 0.55030 1.00000 Dx,Dy,Dz H19 H 6 c 0.60162 -0.00096 0.63124 1.00000 Dx,Dy,Dz C1 C 6 c 0.58131 0.17116 0.10606 1.00000 Dx,Dy,Dz C2 C 6 c 0.56558 0.16573 0.30646 1.00000 Dx,Dy,Dz C3 C 6 c 0.52362 0.09831 0.38853 1.00000 Dx,Dy,Dz C4 C 6 c 0.49507 0.03516 0.28533 1.00000 Dx,Dy,Dz C5 C 6 c 0.50657 0.04204 0.08495 1.00000 Dx,Dy,Dz C6 C 6 c 0.54770 0.10731 -0.00113 1.00000 Dx,Dy,Dz C7 C 6 c 0.59069 0.22862 0.43407 1.00000 Dx,Dy,Dz C8 C 6 c 0.59725 0.79169 -0.03678 1.00000 Dx,Dy,Dz C9 C 6 c 0.62329 0.72627 0.70278 1.00000 Dx,Dy,Dz C10 C 6 c 0.70163 0.78426 0.70067 1.00000 Dx,Dy,Dz C11 C 6 c 0.67543 0.85102 -0.04334 1.00000 Dx,Dy,Dz C12 C 6 c 0.72428 0.82213 0.89553 1.00000 Dx,Dy,Dz C13 C 6 c 0.54547 0.81843 0.01630 1.00000 Dx,Dy,Dz C14 C 6 c 0.54455 0.81695 0.37414 1.00000 Dx,Dy,Dz N1 N 6 c 0.57763 0.75672 0.76720 1.00000 Dx,Dy,Dz N2 N 6 c 0.56343 0.85280 0.20302 1.00000 Dx,Dy,Dz # end of cif