
data_topas_cif_out
_chemical_name_mineral ??
_cell_length_a 14.2205(11)
_cell_length_b 50.960(5)
_cell_length_c 12.7320(10)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 9226.6(13)
_symmetry_space_group_name_H-M Cmmm
loop_
	_symmetry_equiv_pos_as_xyz
	 'x, y, z '
	 '-x, -y, z '
	 '-x, y, -z '
	 '-x, y, z '
	 'x, -y, -z '
	 'x, -y, z '
	 'x, y, -z '
	 '-x, -y, -z '
	 'x+1/2, y+1/2, z '
	 '-x+1/2, -y+1/2, z '
	 '-x+1/2, y+1/2, -z '
	 '-x+1/2, y+1/2, z '
	 'x+1/2, -y+1/2, -z '
	 'x+1/2, -y+1/2, z '
	 'x+1/2, y+1/2, -z '
	 '-x+1/2, -y+1/2, -z '
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  16 0.2079(8) 0.0801(6) 0.2011(2) 0.87(3) 1.7(3)
SI1 Ge  16 0.2079(8) 0.0801(6) 0.2011(2) 0.13(3) 1.2(4)
SI2 Si  16 0.1097(6) 0.1711(3) 0.3736(6) 0.55(4) 1.7(3)
SI2 Ge  16 0.1097(6) 0.1711(3) 0.3736(6) 0.45(4) 1.2(4)
SI3 Si  16 0.1081(4) 0.0319(5) 0.1287(3) 0.60(3) 1.7(3)
SI3 Ge  16 0.1081(4) 0.0319(5) 0.1287(3) 0.40(3) 1.2(4)
SI4 Si  16 0.1114(4) 0.1130(4) 0.3793(6) 0.50(4) 1.7(3)
SI4 Ge  16 0.1114(4) 0.1130(4) 0.3793(6) 0.50(4) 1.2(4)
SI5 Si  16 0.2251(2) 0.1945(6) 0.1981(3) 1.00(3) 1.7(3)
SI5 Ge  16 0.2251(2) 0.1945(6) 0.1981(3) 0.00(3) 1.2(4)
SI6 Si  16 0.3942(5) 0.1000(4) 0.1224(7) 0.60(4) 1.7(3)
SI6 Ge  16 0.3942(5) 0.1000(4) 0.1224(7) 0.40(4) 1.2(4)
SI8 Si  16 0.1078(5) 0.3369(4) 0.1207(5) 0.46(4) 1.7(3)
SI8 Ge  16 0.1078(5) 0.3369(4) 0.1207(5) 0.54(4) 1.2(4)
SI7 Si   8 0.1101(3) 0.1078(8) 0 0.82(5) 1.7(3)
SI7 Ge   8 0.1101(3) 0.1078(8) 0 0.18(5) 1.2(4)
SI9 Si   8 0.1091(4) 0.1714(9) 0 0.94(4) 1.7(3)
SI9 Ge   8 0.1091(4) 0.1714(9) 0 0.06(4) 1.2(4)
SI10 Si  16 0.2101(4) 0.2502(4) 0.1181(5) 0.50(2) 1.7(3)
SI10 Ge  16 0.2101(4) 0.2502(4) 0.1181(5) 0.00(2) 1.2(4)
O1 O  16 0.1851(4) 0.0494(3) 0.1941(6) 1 2.0(4)
O2 O  16 0.3201(4) 0.0840(4) 0.1971(6) 1 2.0(4)
O3 O  16 0.1701(4) 0.0909(5) 0.3121(6) 1 2.0(4)
O4 O  16 0.2491(5) 0.2245(4) 0.1771(5) 1 2.0(4)
O5 O  16 0.1751(4) 0.1922(4) 0.3101(6) 1 2.0(4)
O6 O  16 0.1601(4) 0.0959(4) 0.1051(6) 1 2.0(4)
O7 O  16 0.1801(5) 0.3216(5) 0.2011(5) 1 2.0(4)
O8 O  16 0.1191(4) 0.1417(3) 0.3181(5) 1 2.0(4)
O9 O  16 0.1581(4) 0.1833(5) 0.1051(5) 1 2.0(4)
O10 O  16 0.1361(4) 0.3687(4) 0.1181(6) 1 2.0(4)
O11 O   8 0.1191(7) 0.1401(2) 0 1 2.0(4)
O12 O   8 0.1241(6) 0.0370(8) 0 1 2.0(4)
O13 O   8 0.1161(7) 0.3241(8) 0 1 2.0(4)
O14 O   8 0.3931(7) 0.0879(9) 0 1 2.0(4)
O15 O   8 0.1231(6) 0 0.1561(6) 1 2.0(4)
O16 O   4 0 0.1791(3) 0 1 2.0(4)
O17 O   4 0 0.1001(3) 0 1 2.0(4)
O18 O   8 0 0.1811(9) 0.3651(7) 1 2.0(4)
O19 O   8 0 0.0409(8) 0.1631(8) 1 2.0(4)
O20 O   8 0 0.1038(7) 0.3871(7) 1 2.0(4)
O21 O   8 0 0.3333(9) 0.1651(8) 1 2.0(4)
O22 O   8 0 0.4028(9) 0.1731(7) 1 2.0(4)
O23 O   8 0.1421(6) 0.1695(9) 0.5 1 2.0(4)
O24 O   8 0.1571(6) 0.1156(9) 0.5 1 2.0(4)
O25 O   4 0.25 0.25 0 1 2.0(4)
O26 O  16 0.0971(7) 0.2511(2) 0.1161(1) 0.5 2.0(4)
F1 F   4 0 0.13713 0.5 1 10(3)
F2 F   4 0 0.36522 0 1 10(3)
F3 F   2 0 0 0 1 10(3)
C1 C  16 0.173(9) 0.015(3) 1.578(8) 0.364 10(3)
C2 C  16 0.221(11) 0.001(3) 1.654(9) 0.364 10(3)
N3 N  16 0.299(9) 0.015(3) 1.680(8) 0.364 10(3)
C4 C  16 0.297(7) 0.037(3) 1.618(7) 0.364 10(3)
N5 N  16 0.221(6) 0.037(3) 1.555(6) 0.364 10(3)
C6 C  16 0.191(5) 0.056(3) 1.477(6) 0.364 10(3)
C7 C  16 0.373(6) 0.057(4) 1.616(8) 0.364 10(3)
C8 C  16 0.437(5) 0.054(4) 1.521(10) 0.364 10(3)
C9 C  16 0.370(11) 0.007(4) 1.757(10) 0.364 10(3)
C10 C  16 0.352(12) 0.021(5) 1.862(9) 0.364 10(3)
C11 C  16 0.427(14) 0.013(5) 1.943(11) 0.364 10(3)
H12 H  16 0.107(9) 0.009(3) 1.541(9) 0.364 10(3)
H13 H  16 0.201(13) -0.017(3) 1.689(11) 0.364 10(3)
H14 H  16 0.189(6) 0.047(3) 1.398(6) 0.364 10(3)
H15 H  16 0.240(6) 0.073(3) 1.475(6) 0.364 10(3)
H16 H  16 0.120(5) 0.064(3) 1.498(6) 0.364 10(3)
H17 H  16 0.417(8) 0.056(4) 1.688(9) 0.364 10(3)
H18 H  16 0.396(5) 0.056(4) 1.447(9) 0.364 10(3)
H19 H  16 0.472(6) 0.035(4) 1.523(11) 0.364 10(3)
H20 H  16 0.492(6) 0.069(5) 1.521(12) 0.364 10(3)
H21 H  16 0.441(10) 0.012(5) 1.726(11) 0.364 10(3)
H22 H  16 0.366(14) -0.015(4) 1.769(11) 0.364 10(3)
H23 H  16 0.282(13) 0.015(4) 1.892(8) 0.364 10(3)
H24 H  16 0.353(11) 0.042(4) 1.851(8) 0.364 10(3)
H25 H  16 0.498(13) 0.019(6) 1.915(12) 0.364 10(3)
H26 H  16 0.425(16) -0.008(6) 1.957(12) 0.364 10(3)
H27 H  16 0.412(15) 0.024(6) 2.018(10) 0.364 10(3)
H28 H  16 0.341(7) 0.077(3) 1.616(8) 0.364 10(3)
Cb1 C  16 -0.310(10) 0.793(2) 0.49(2) 0.364 10(3)
Cb2 C  16 -0.348(13) 0.817(2) 0.47(3) 0.364 10(3)
Nb3 N  16 -0.440(14) 0.814(2) 0.45(3) 0.364 10(3)
Cb4 C  16 -0.457(10) 0.788(2) 0.46(2) 0.364 10(3)
Nb5 N  16 -0.378(9) 0.7748(19) 0.485(19) 0.364 10(3)
Cb6 C  16 -0.365(7) 0.7467(19) 0.502(17) 0.364 10(3)
Cb7 C  16 -0.551(10) 0.775(3) 0.44(2) 0.364 10(3)
Cb8 C  16 -0.551(14) 0.762(3) 0.33(2) 0.364 10(3)
Cb9 C  16 -0.506(17) 0.835(2) 0.42(3) 0.364 10(3)
Cb10 C  16 -0.563(15) 0.844(3) 0.52(3) 0.364 10(3)
Cb11 C  16 -0.633(19) 0.865(4) 0.49(4) 0.364 10(3)
Hb12 H  16 -0.237(10) 0.789(2) 0.52(2) 0.364 10(3)
Hb13 H  16 -0.312(16) 0.836(2) 0.48(3) 0.364 10(3)
Hb14 H  16 -0.313(8) 0.739(2) 0.444(18) 0.364 10(3)
Hb15 H  16 -0.431(8) 0.736(2) 0.493(18) 0.364 10(3)
Hb16 H  16 -0.337(9) 0.743(2) 0.583(18) 0.364 10(3)
Hb17 H  16 -0.608(11) 0.790(3) 0.44(3) 0.364 10(3)
Hb18 H  16 -0.495(13) 0.747(3) 0.32(2) 0.364 10(3)
Hb19 H  16 -0.538(18) 0.777(4) 0.27(2) 0.364 10(3)
Hb20 H  16 -0.620(14) 0.753(4) 0.31(3) 0.364 10(3)
Hb21 H  16 -0.553(19) 0.829(3) 0.36(3) 0.364 10(3)
Hb22 H  16 -0.47(2) 0.852(3) 0.39(3) 0.364 10(3)
Hb23 H  16 -0.514(16) 0.851(3) 0.58(3) 0.364 10(3)
Hb24 H  16 -0.602(13) 0.827(4) 0.55(3) 0.364 10(3)
Hb25 H  16 -0.68(2) 0.858(4) 0.43(4) 0.364 10(3)
Hb26 H  16 -0.60(2) 0.883(3) 0.46(4) 0.364 10(3)
Hb27 H  16 -0.673(18) 0.871(5) 0.56(4) 0.364 10(3)
Hb28 H  16 -0.567(8) 0.761(3) 0.50(2) 0.364 10(3)