
data_sysu-3
_chemical_name_mineral ??
_cell_length_a 27.550498
_cell_length_b 27.550498
_cell_length_c 14.111909
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 10711.3614
_symmetry_space_group_name_H-M I4/mcm
loop_
	_symmetry_equiv_pos_as_xyz
	 'x, y, z '
	 '-x, -y, z '
	 '-x, y, -z+1/2 '
	 '-x, y, z+1/2 '
	 '-y, -x, -z+1/2 '
	 '-y, -x, z+1/2 '
	 '-y, x, -z '
	 '-y, x, z '
	 'y, -x, -z '
	 'y, -x, z '
	 'y, x, -z+1/2 '
	 'y, x, z+1/2 '
	 'x, -y, -z+1/2 '
	 'x, -y, z+1/2 '
	 'x, y, -z '
	 '-x, -y, -z '
	 'x+1/2, y+1/2, z+1/2 '
	 '-x+1/2, -y+1/2, z+1/2 '
	 '-x+1/2, y+1/2, -z '
	 '-x+1/2, y+1/2, z '
	 '-y+1/2, -x+1/2, -z '
	 '-y+1/2, -x+1/2, z '
	 '-y+1/2, x+1/2, -z+1/2 '
	 '-y+1/2, x+1/2, z+1/2 '
	 'y+1/2, -x+1/2, -z+1/2 '
	 'y+1/2, -x+1/2, z+1/2 '
	 'y+1/2, x+1/2, -z '
	 'y+1/2, x+1/2, z '
	 'x+1/2, -y+1/2, -z '
	 'x+1/2, -y+1/2, z '
	 'x+1/2, y+1/2, -z+1/2 '
	 '-x+1/2, -y+1/2, -z+1/2 '
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_occupancy
_atom_site_B_iso_or_equiv
Si1 Si  32 0.13503 0.1793 0.15591 0.6040856 1.06245
Si1 Ge  32 0.13503 0.1793 0.15591 0.3959144 2.0635
Si2 Si  32 0.03205 0.22565 0.15688 0.5082475 1.06245
Si2 Ge  32 0.03205 0.22565 0.15688 0.4917525 2.0635
Si3 Si  16 0.104 0.10465 0 0.6261857 1.06245
Si3 Ge  16 0.104 0.10465 0 0.3738143 2.0635
Si4 Si  16 0.16706 0.25402 0 0.7010316 1.06245
Si4 Ge  16 0.16706 0.25402 0 0.2989684 2.0635
Si5 Si  16 0.00101 0.14783 0 0.3690995 1.06245
Si5 Ge  16 0.00101 0.14783 0 0.6309005 2.0635
Si6 Si  16 0.06557 0.30111 0 0.2733649 1.06245
Si6 Ge  16 0.06557 0.30111 0 0.7266351 2.0635
O1 O  32 0.12691 0.12961 0.09519 1 3.56652
O2 O  16 0 0.241 0.25 1 3.56652
O3 O  32 1.0026 0.18314 0.09614 1 3.56652
O4 O  32 0.042 0.27577 0.09741 1 3.56652
O5 O  32 0.16558 0.21954 0.09468 1 3.56652
O6 O  32 0.08324 0.20206 0.18978 1 3.56652
O7 O   8 0.21856 0.28144 0 1 3.56652
O8 O  16 0.04596 0.10922 0 1 3.56652
O9 O  16 0.11571 0.04848 0 1 3.56652
O10 O  16 0.16607 0.16607 0.25 1 3.56652
O11 O  16 0.12545 0.29591 0 1 3.56652
O12 O  16 0.05066 0.35829 0 1 3.56652
F1 F  16 0.42681 0.6987 0 0.75 4.85106
F2 F   8 0.5 0.5 0.79897 0.5 4.85106
N1 N  32 0.38217 0.93737 0.7157 0.25 4.99902
N2 N  32 0.33762 0.828 0.5277 0.25 4.99902
C1  C  32 0.41124 0.93782 0.807 0.375 4.99902
C2 C  32 0.36391 0.98936 0.7059 0.3325 4.99902
C3  C  32 0.40513 1.02772 0.7002 0.3325 4.99902
C4  C  32 0.44611 1.01442 0.6308 0.3325 4.99902
C5  C  32 0.43271 0.9708 0.5737 0.3325 4.99902
C6  C  32 0.41647 0.92556 0.6298 0.29 4.99902
C7  C  32 0.34336 0.90177 0.7402 0.3325 4.99902
C8  C  32 0.34996 0.85504 0.6956 0.29 4.99902
C9  C  32 0.35215 0.86898 0.5933 0.29 4.99902
C10 C  32 0.40517 0.88049 0.5767 0.29 4.99902
C11 C  32 0.43584 0.83761 0.602 0.3325 4.99902
C12 C  32 0.42006 0.79257 0.5483 0.3325 4.99902
C13 C  32 0.36556 0.78359 0.5519 0.3325 4.99902
C14 C  32 0.29182 0.80503 0.565 0.3325 4.99902
C15 C  32 0.30192 0.78572 0.6584 0.3325 4.99902
C16 C  32 0.30771 0.82619 0.7215 0.3325 4.99902
C17 C  32 0.32983 0.83911 0.4179 0.375 4.99902

