# 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
