XRD 12 ID = 10067<br><br />
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data_topas_cif_out
_chemical_name_mineral ??
_cell_length_a 14.2015(4)
_cell_length_b 51.053(4)
_cell_length_c 12.7287(4)
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 9228.7(8)
_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 0.2049(5) 0.0805(4) 0.2033(8) 0.82 1.55(6)
SI1 Ge  16 0.2049(5) 0.0805(4) 0.2033(8) 0.18 1
SI2 Si  16 0.1112(2) 0.1710(3) 0.3753(3) 0.55 1.55(6)
SI2 Ge  16 0.1112(2) 0.1710(3) 0.3753(3) 0.45 1
SI3 Si  16 0.1126(1) 0.0302(4) 0.1297(1) 0.6 1.55(6)
SI3 Ge  16 0.1126(1) 0.0302(4) 0.1297(1) 0.4 1
SI4 Si  16 0.1117(2) 0.1133(3) 0.3760(3) 0.5 1.55(6)
SI4 Ge  16 0.1117(2) 0.1133(3) 0.3760(3) 0.5 1
SI5 Si  16 0.2210(9) 0.1951(6) 0.1961(2) 1 1.55(6)
SI5 Ge  16 0.2210(9) 0.1951(6) 0.1961(2) 0 1
SI6 Si  16 0.3964(2) 0.0994(3) 0.1285(4) 0.59972 1.55(6)
SI6 Ge  16 0.3964(2) 0.0994(3) 0.1285(4) 0.40028 1
SI8 Si  16 0.1084(2) 0.3355(3) 0.1236(2) 0.46 1.55(6)
SI8 Ge  16 0.1084(2) 0.3355(3) 0.1236(2) 0.54 1
SI7 Si   8 0.1131(2) 0.1091(7) 0 0.82 1.55(6)
SI7 Ge   8 0.1131(2) 0.1091(7) 0 0.18 1
SI9 Si   8 0.1111(3) 0.1724(8) 0 0.98191 1.55(6)
SI9 Ge   8 0.1111(3) 0.1724(8) 0 0.01809 1
SI10 Si  16 0.2091(3) 0.2507(4) 0.1161(4) 0.5 1.55(6)
SI10 Ge  16 0.2091(3) 0.2507(4) 0.1161(4) 0 1
O1 O  16 0.1781(4) 0.0498(9) 0.1981(4) 1 1.86(7)
O2 O  16 0.3181(3) 0.0829(2) 0.1961(5) 1 1.86(7)
O3 O  16 0.1731(4) 0.0917(3) 0.3141(4) 1 1.86(7)
O4 O  16 0.2461(5) 0.2247(9) 0.1741(3) 1 1.86(7)
O5 O  16 0.1711(4) 0.1928(1) 0.3081(4) 1 1.86(7)
O6 O  16 0.1591(3) 0.0965(1) 0.1061(4) 1 1.86(7)
O7 O  16 0.1851(3) 0.3209(2) 0.2011(4) 1 1.86(7)
O8 O  16 0.1281(3) 0.1418(1) 0.3211(4) 1 1.86(7)
O9 O  16 0.1561(3) 0.1851(2) 0.1041(3) 1 1.86(7)
O10 O  16 0.125(4) 0.3684(1) 0.1381(4) 1 1.86(7)
O11 O   8 0.1311(5) 0.1409(6) 0 1 1.86(7)
O12 O   8 0.1371(4) 0.0330(6) 0 1 1.86(7)
O13 O   8 0.1251(6) 0.3260(5) 0 1 1.86(7)
O14 O   8 0.3941(6) 0.0905(7) 0 1 1.86(7)
O15 O   8 0.1341(5) 0 0.1691(5) 1 1.86(7)
O16 O   4 0 0.1781(2) 0 1 1.86(7)
O17 O   4 0 0.1031(2) 0 1 1.86(7)
O18 O   8 0 0.1795(6) 0.3701(5) 1 1.86(7)
O19 O   8 0 0.0369(5) 0.1501(6) 1 1.86(7)
O20 O   8 0 0.1055(4) 0.3681(7) 1 1.86(7)
O21 O   8 0 0.3272(5) 0.1581(5) 1 1.86(7)
O22 O   8 0 0.4070(5) 0.1771(5) 1 1.86(7)
O23 O   8 0.1461(6) 0.1704(6) 0.5 1 1.86(7)
O24 O   8 0.1441(5) 0.1141(5) 0.5 1 1.86(7)
O25 O   4 0.25 0.25 0 1 1.86(7)
O26 O  16 0.0951(5) 0.2525(8) 0.1161(8) 0.5 1.86(7)