# CIF file created by FINDSYM, version 6.0 data_findsym-output _audit_creation_method FINDSYM _cell_length_a 21.9536700000 _cell_length_b 21.9536700000 _cell_length_c 7.0092600000 _cell_angle_alpha 90.0000000000 _cell_angle_beta 90.0000000000 _cell_angle_gamma 120.0000000000 _cell_volume 2925.6142663665 _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 0.60887 0.28560 0.83183 1.00000 Dx,Dy,Dz O1 O 6 c 0.63838 0.23477 0.02610 1.00000 Dx,Dy,Dz O2 O 6 c 0.63707 0.28857 0.37887 1.00000 Dx,Dy,Dz O3 O 6 c 0.57291 0.21336 0.61080 1.00000 Dx,Dy,Dz H1 H 6 c 0.52756 0.09250 0.53893 1.00000 Dx,Dy,Dz H2 H 6 c 0.53582 -0.00175 0.00881 1.00000 Dx,Dy,Dz H3 H 6 c 0.59939 0.11599 0.86115 1.00000 Dx,Dy,Dz H4 H 6 c 0.53295 0.81780 0.21098 1.00000 Dx,Dy,Dz H5 H 6 c 0.53726 0.74438 0.84183 1.00000 Dx,Dy,Dz H6 H 6 c 0.63221 0.71758 0.80207 1.00000 Dx,Dy,Dz H7 H 6 c 0.63802 0.78380 0.64490 1.00000 Dx,Dy,Dz H8 H 6 c 0.66126 0.86401 0.19640 1.00000 Dx,Dy,Dz H9 H 6 c 0.65262 0.79641 0.35131 1.00000 Dx,Dy,Dz H10 H 6 c 0.70954 0.75724 0.11523 1.00000 Dx,Dy,Dz H11 H 6 c 0.76539 0.84780 0.15704 1.00000 Dx,Dy,Dz H12 H 6 c 0.72323 0.87706 0.85879 1.00000 Dx,Dy,Dz H13 H 6 c 0.75392 0.81831 0.80494 1.00000 Dx,Dy,Dz H14 H 6 c 0.47418 0.73521 0.11231 1.00000 Dx,Dy,Dz H15 H 6 c 0.57302 0.70550 0.12409 1.00000 Dx,Dy,Dz H16 H 6 c 0.51435 0.69186 0.40737 1.00000 Dx,Dy,Dz H17 H 6 c 0.53389 0.76815 0.49634 1.00000 Dx,Dy,Dz C1 C 6 c 0.60160 0.17229 0.11403 1.00000 Dx,Dy,Dz C2 C 6 c 0.58106 0.16438 0.31166 1.00000 Dx,Dy,Dz C3 C 6 c 0.54321 0.09627 0.39084 1.00000 Dx,Dy,Dz C4 C 6 c 0.52621 0.03532 0.28752 1.00000 Dx,Dy,Dz C5 C 6 c 0.54663 0.04401 0.09313 1.00000 Dx,Dy,Dz C6 C 6 c 0.58252 0.10999 0.00897 1.00000 Dx,Dy,Dz C7 C 6 c 0.59776 0.22502 0.44082 1.00000 Dx,Dy,Dz C8 C 6 c 0.58274 0.76000 0.10713 1.00000 Dx,Dy,Dz C9 C 6 c 0.64049 0.77168 0.79566 1.00000 Dx,Dy,Dz C10 C 6 c 0.71284 0.82323 0.87983 1.00000 Dx,Dy,Dz C11 C 6 c 0.65377 0.81069 0.20060 1.00000 Dx,Dy,Dz C12 C 6 c 0.71463 0.80919 0.09593 1.00000 Dx,Dy,Dz C13 C 6 c 0.52101 0.76323 0.20085 1.00000 Dx,Dy,Dz N1 N 6 c 0.58515 0.77757 -0.09939 1.00000 Dx,Dy,Dz N2 N 6 c 0.50289 0.73160 0.39745 1.00000 Dx,Dy,Dz # end of cif