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data_EDUSIF_clean
_audit_creation_date 2014-07-02
_audit_creation_method 'Materials Studio'
_symmetry_space_group_name_H-M 'P1'
_symmetry_Int_Tables_number 1
_symmetry_cell_setting triclinic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
_cell_length_a 18.2660
_cell_length_b 18.2660
_cell_length_c 18.2660
_cell_angle_alpha 60.0000
_cell_angle_beta 60.0000
_cell_angle_gamma 60.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
Zn1 Zn 0.29338 0.29338 0.29338 0.01267 Uiso 1.00
Zn2 Zn 0.29338 0.29338 0.11986 0.01267 Uiso 1.00
Zn3 Zn 0.29338 0.11986 0.29338 0.01267 Uiso 1.00
Zn4 Zn 0.11986 0.29338 0.29338 0.01267 Uiso 1.00
Zn5 Zn 0.70662 0.70662 0.70662 0.01267 Uiso 1.00
Zn6 Zn 0.70662 0.70662 0.88014 0.01267 Uiso 1.00
Zn7 Zn 0.88014 0.70662 0.70662 0.01267 Uiso 1.00
Zn8 Zn 0.70662 0.88014 0.70662 0.01267 Uiso 1.00
H1 H 0.15460 0.45520 0.45520 0.01267 Uiso 1.00
H2 H 0.45520 0.15460 0.93500 0.01267 Uiso 1.00
H3 H 0.45520 0.93500 0.15460 0.01267 Uiso 1.00
H4 H 0.93500 0.45520 0.45520 0.01267 Uiso 1.00
H5 H 0.15460 0.45520 0.93500 0.01267 Uiso 1.00
H6 H 0.45520 0.93500 0.45520 0.01267 Uiso 1.00
H7 H 0.45520 0.15460 0.45520 0.01267 Uiso 1.00
H8 H 0.93500 0.45520 0.15460 0.01267 Uiso 1.00
H9 H 0.15460 0.93500 0.45520 0.01267 Uiso 1.00
H10 H 0.45520 0.45520 0.15460 0.01267 Uiso 1.00
H11 H 0.45520 0.45520 0.93500 0.01267 Uiso 1.00
H12 H 0.93500 0.15460 0.45520 0.01267 Uiso 1.00
H13 H 0.54480 0.84540 0.54480 0.01267 Uiso 1.00
H14 H 0.84540 0.54480 0.06500 0.01267 Uiso 1.00
H15 H 0.06500 0.54480 0.84540 0.01267 Uiso 1.00
H16 H 0.54480 0.06500 0.54480 0.01267 Uiso 1.00
H17 H 0.54480 0.84540 0.06500 0.01267 Uiso 1.00
H18 H 0.06500 0.54480 0.54480 0.01267 Uiso 1.00
H19 H 0.84540 0.54480 0.54480 0.01267 Uiso 1.00
H20 H 0.54480 0.06500 0.84540 0.01267 Uiso 1.00
H21 H 0.06500 0.84540 0.54480 0.01267 Uiso 1.00
H22 H 0.54480 0.54480 0.84540 0.01267 Uiso 1.00
H23 H 0.54480 0.54480 0.06500 0.01267 Uiso 1.00
H24 H 0.84540 0.06500 0.54480 0.01267 Uiso 1.00
C1 C 0.09270 0.47310 0.47310 0.01267 Uiso 1.00
C2 C 0.47310 0.09270 0.96110 0.01267 Uiso 1.00
C3 C 0.47310 0.96110 0.09270 0.01267 Uiso 1.00
C4 C 0.96110 0.47310 0.47310 0.01267 Uiso 1.00
C5 C 0.09270 0.47310 0.96110 0.01267 Uiso 1.00
C6 C 0.47310 0.96110 0.47310 0.01267 Uiso 1.00
C7 C 0.47310 0.09270 0.47310 0.01267 Uiso 1.00
C8 C 0.96110 0.47310 0.09270 0.01267 Uiso 1.00
C9 C 0.09270 0.96110 0.47310 0.01267 Uiso 1.00
C10 C 0.47310 0.47310 0.09270 0.01267 Uiso 1.00
C11 C 0.47310 0.47310 0.96110 0.01267 Uiso 1.00
C12 C 0.96110 0.09270 0.47310 0.01267 Uiso 1.00
C13 C 0.52690 0.90730 0.52690 0.01267 Uiso 1.00
C14 C 0.90730 0.52690 0.03890 0.01267 Uiso 1.00
C15 C 0.03890 0.52690 0.90730 0.01267 Uiso 1.00
C16 C 0.52690 0.03890 0.52690 0.01267 Uiso 1.00
C17 C 0.52690 0.90730 0.03890 0.01267 Uiso 1.00
C18 C 0.03890 0.52690 0.52690 0.01267 Uiso 1.00
C19 C 0.90730 0.52690 0.52690 0.01267 Uiso 1.00
C20 C 0.52690 0.03890 0.90730 0.01267 Uiso 1.00
C21 C 0.03890 0.90730 0.52690 0.01267 Uiso 1.00
C22 C 0.52690 0.52690 0.90730 0.01267 Uiso 1.00
C23 C 0.52690 0.52690 0.03890 0.01267 Uiso 1.00
C24 C 0.90730 0.03890 0.52690 0.01267 Uiso 1.00
C25 C 0.11130 0.38870 0.38870 0.01267 Uiso 1.00
C26 C 0.05380 0.44620 0.44620 0.01267 Uiso 1.00
C27 C 0.38870 0.11130 0.11130 0.01267 Uiso 1.00
C28 C 0.44620 0.05380 0.05380 0.01267 Uiso 1.00
C29 C 0.11130 0.38870 0.11130 0.01267 Uiso 1.00
C30 C 0.05380 0.44620 0.05380 0.01267 Uiso 1.00
C31 C 0.38870 0.11130 0.38870 0.01267 Uiso 1.00
C32 C 0.44620 0.05380 0.44620 0.01267 Uiso 1.00
C33 C 0.11130 0.11130 0.38870 0.01267 Uiso 1.00
C34 C 0.05380 0.05380 0.44620 0.01267 Uiso 1.00
C35 C 0.38870 0.38870 0.11130 0.01267 Uiso 1.00
C36 C 0.44620 0.44620 0.05380 0.01267 Uiso 1.00
C37 C 0.61130 0.88870 0.61130 0.01267 Uiso 1.00
C38 C 0.55380 0.94620 0.55380 0.01267 Uiso 1.00
C39 C 0.88870 0.61130 0.88870 0.01267 Uiso 1.00
C40 C 0.94620 0.55380 0.94620 0.01267 Uiso 1.00
C41 C 0.61130 0.88870 0.88870 0.01267 Uiso 1.00
C42 C 0.55380 0.94620 0.94620 0.01267 Uiso 1.00
C43 C 0.88870 0.61130 0.61130 0.01267 Uiso 1.00
C44 C 0.94620 0.55380 0.55380 0.01267 Uiso 1.00
C45 C 0.88870 0.88870 0.61130 0.01267 Uiso 1.00
C46 C 0.94620 0.94620 0.55380 0.01267 Uiso 1.00
C47 C 0.61130 0.61130 0.88870 0.01267 Uiso 1.00
C48 C 0.55380 0.55380 0.94620 0.01267 Uiso 1.00
O1 O 0.25000 0.25000 0.25000 0.01267 Uiso 1.00
O2 O 0.75000 0.75000 0.75000 0.01267 Uiso 1.00
O3 O 0.19777 0.36600 0.36600 0.01267 Uiso 1.00
O4 O 0.36600 0.19777 0.07023 0.01267 Uiso 1.00
O5 O 0.36600 0.07023 0.19777 0.01267 Uiso 1.00
O6 O 0.07023 0.36600 0.36600 0.01267 Uiso 1.00
O7 O 0.19777 0.36600 0.07023 0.01267 Uiso 1.00
O8 O 0.36600 0.07023 0.36600 0.01267 Uiso 1.00
O9 O 0.36600 0.19777 0.36600 0.01267 Uiso 1.00
O10 O 0.07023 0.36600 0.19777 0.01267 Uiso 1.00
O11 O 0.19777 0.07023 0.36600 0.01267 Uiso 1.00
O12 O 0.36600 0.36600 0.19777 0.01267 Uiso 1.00
O13 O 0.36600 0.36600 0.07023 0.01267 Uiso 1.00
O14 O 0.07023 0.19777 0.36600 0.01267 Uiso 1.00
O15 O 0.63400 0.80223 0.63400 0.01267 Uiso 1.00
O16 O 0.80223 0.63400 0.92977 0.01267 Uiso 1.00
O17 O 0.92977 0.63400 0.80223 0.01267 Uiso 1.00
O18 O 0.63400 0.92977 0.63400 0.01267 Uiso 1.00
O19 O 0.63400 0.80223 0.92977 0.01267 Uiso 1.00
O20 O 0.92977 0.63400 0.63400 0.01267 Uiso 1.00
O21 O 0.80223 0.63400 0.63400 0.01267 Uiso 1.00
O22 O 0.63400 0.92977 0.80223 0.01267 Uiso 1.00
O23 O 0.92977 0.80223 0.63400 0.01267 Uiso 1.00
O24 O 0.63400 0.63400 0.80223 0.01267 Uiso 1.00
O25 O 0.63400 0.63400 0.92977 0.01267 Uiso 1.00
O26 O 0.80223 0.92977 0.63400 0.01267 Uiso 1.00
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