# CIF file created by FINDSYM, version 6.0 data_findsym-output _audit_creation_method FINDSYM _cell_length_a 21.8600800000 _cell_length_b 21.8600800000 _cell_length_c 6.9379100000 _cell_angle_alpha 90.0000000000 _cell_angle_beta 90.0000000000 _cell_angle_gamma 120.0000000000 _cell_volume 2871.1956505779 _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 0.60134 0.28929 0.83209 1.00000 Dx,Dy,Dz O1 O 6 c 0.62651 0.23191 0.01608 1.00000 Dx,Dy,Dz O2 O 6 c 0.63357 0.29042 0.37259 1.00000 Dx,Dy,Dz O3 O 6 c 0.56378 0.21841 0.60554 1.00000 Dx,Dy,Dz O4 O 6 c 0.49752 0.75258 0.37729 1.00000 Dx,Dy,Dz O5 O 6 c 0.58157 0.85360 0.52446 1.00000 Dx,Dy,Dz H1 H 6 c 0.51449 0.09634 0.54138 1.00000 Dx,Dy,Dz H2 H 6 c 0.49754 -0.00525 -0.00247 1.00000 Dx,Dy,Dz H3 H 6 c 0.56715 0.11107 0.84443 1.00000 Dx,Dy,Dz H4 H 6 c 0.55255 0.85825 -0.09858 1.00000 Dx,Dy,Dz H5 H 6 c 0.58166 0.79456 0.66650 1.00000 Dx,Dy,Dz H6 H 6 c 0.52461 0.71621 0.76080 1.00000 Dx,Dy,Dz H7 H 6 c 0.61076 0.68066 0.80708 1.00000 Dx,Dy,Dz H8 H 6 c 0.60307 0.70046 0.56329 1.00000 Dx,Dy,Dz H9 H 6 c 0.60358 -0.09516 0.20962 1.00000 Dx,Dy,Dz H10 H 6 c 0.69005 0.87184 0.10505 1.00000 Dx,Dy,Dz H11 H 6 c 0.68245 0.88928 0.86005 1.00000 Dx,Dy,Dz H12 H 6 c 0.77809 0.85869 -0.09863 1.00000 Dx,Dy,Dz H13 H 6 c 0.71790 0.77877 0.01492 1.00000 Dx,Dy,Dz H14 H 6 c 0.71083 0.81866 0.59338 1.00000 Dx,Dy,Dz H15 H 6 c 0.73150 0.75424 0.67205 1.00000 Dx,Dy,Dz H16 H 6 c 0.49176 0.77723 0.01227 1.00000 Dx,Dy,Dz H17 H 6 c 0.58718 0.74898 0.06948 1.00000 Dx,Dy,Dz C1 C 6 c 0.58308 0.17087 0.10338 1.00000 Dx,Dy,Dz C2 C 6 c 0.56570 0.16539 0.30484 1.00000 Dx,Dy,Dz C3 C 6 c 0.52450 0.09798 0.38808 1.00000 Dx,Dy,Dz C4 C 6 c 0.49974 0.03510 0.28480 1.00000 Dx,Dy,Dz C5 C 6 c 0.51456 0.04179 0.08401 1.00000 Dx,Dy,Dz C6 C 6 c 0.55394 0.10702 -0.00349 1.00000 Dx,Dy,Dz C7 C 6 c 0.58980 0.22820 0.43262 1.00000 Dx,Dy,Dz C8 C 6 c 0.59651 0.79050 -0.03497 1.00000 Dx,Dy,Dz C9 C 6 c 0.62185 0.72341 0.70595 1.00000 Dx,Dy,Dz C10 C 6 c 0.70053 0.77960 0.70691 1.00000 Dx,Dy,Dz C11 C 6 c 0.67522 0.84780 -0.03783 1.00000 Dx,Dy,Dz C12 C 6 c 0.72258 0.81697 -0.09544 1.00000 Dx,Dy,Dz C13 C 6 c 0.54665 0.81995 0.01257 1.00000 Dx,Dy,Dz C14 C 6 c 0.54612 0.81817 0.37663 1.00000 Dx,Dy,Dz N1 N 6 c 0.57763 0.75563 0.76715 1.00000 Dx,Dy,Dz N2 N 6 c 0.56322 0.85448 0.20132 1.00000 Dx,Dy,Dz # end of cif