
data_ECNU-16_as-made
_chemical_name_mineral ECNU-16-as made
_cell_length_a 17.82764
_cell_length_b 15.12191
_cell_length_c 10.66376
_cell_angle_alpha 90
_cell_angle_beta 108.5659
_cell_angle_gamma 90
_cell_volume 2725.209
_symmetry_space_group_name_H-M C12/m1
loop_
	_symmetry_equiv_pos_as_xyz
	 '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 '
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
T1 Si    8  0.3822004    0.1054097     0.2089614     0.223412      1.05312
T1 Ge    8  0.3822004    0.1054097     0.2089614     0.776588      1.05312
T2 Si    8  0.1300498    0.394705      0.0992525     0.4098228     1.05312
T2 Ge    8  0.1300498    0.394705      0.0992525     0.5901772     1.05312
T3 Si    8  0.3183859    0.3942604     0.1780381     0.4296196     1.05312
T3 Ge    8  0.3183859    0.3942604     0.1780381     0.5703804     1.05312
T4 Si    8  0.192022     0.1040179     0.1249142     0.7386936     1.05312
T4 Ge    8  0.192022     0.1040179     0.1249142     0.2613064     1.05312
T5 Si    8  0.4574592    0.2751634     0.3471828     0.9           1.05312
T5 Ge    8  0.4574592    0.2751634     0.3471828     0.1           1.05312
T6 Si    8  0.05779186   0.2251803     0.1531457     0.7206998     1.05312
T6 Ge    8  0.05779186   0.2251803     0.1531457     0.2793002     1.05312
O7  O    8  0.4410297    0.1693553     0.333076      1             1.263744
O8  O    8  0.3247422    0.3670845     0.0300602     1             1.263744
O9  O    8  0.1403838    0.1693543     0.1867457     1             1.263744
O10 O    8  0.2865308    0.1146033     0.2066991     1             1.263744
O11 O    8  0.07806405   0.3312178     0.1699984     1             1.263744
O12 O    8  0.3900304    0.1363861     0.06034235    1             1.263744
O13 O    8  0.2258275    0.3825724     0.1782169     1             1.263744
O14 O    8  0.3752395    0.3279284     0.2937868     1             1.263744
O15 O    8  0.01228005   0.1970489     0.2584878     1             1.263744
O16 O    4  0            0.199257      0.5           1             1.516493
O17 O    4  0.4126839    0             0.2388681     1             1.516493
O18 O    4  0.1646735    0             0.1325886     1             1.516493
O19 O    4  0.15309      0             0.7891148     1             1.516493
O20 O    4  0.6041088    0             0.107691      1             1.516493
O21 O    4  0            0.2042365     0             1             1.516493
F1  F    4  -0.22687     0.5           1             1             10
N1  N    8  1.292037     -0.1836374    -0.4918166    0.25          2.00146
C2  C    8  1.219197     -0.1552234    -0.5598575    0.25          2.00146
C3  C    8  1.220824     -0.06450174   -0.5648774    0.25          2.00146
N4  N    8  1.294655     -0.03745529   -0.4994658    0.25          2.00146
C5  C    8  1.337012     -0.1110666    -0.4562498    0.25          2.00146
C6  C    8  1.316773     -0.2748363    -0.4633826    0.25          2.00146
C7  C    8  1.323303     0.05323799    -0.4818854    0.25          2.00146
C8  C    8  1.24985      0.1184038     -0.5119373    0.25          2.00146
C9  C    8  1.274475     0.2177069     -0.5096122    0.25          2.00146
C10 C    8  1.213406     0.2804687     -0.4713486    0.25          2.00146
N11 N    8  1.239661     0.3752882     -0.4750178    0.25          2.00146
C12 C    8  1.20626      0.4524536     -0.4791197    0.25          2.00146
C13 C    8  1.260289     0.516351      -0.4827965    0.25          2.00146
N14 N    8  1.328208     0.4775475     -0.4814076    0.25          2.00146
C15 C    8  1.310594     0.4033027     -0.4774647    0.25          2.00146
C16 C    8  1.400159     0.5208045     -0.484672     0.25          2.00146
H17 H    8  1.168745     -0.1972462    -0.6028563    0.25          2.00146
H18 H    8  1.171833     -0.02159399   -0.6127388    0.25          2.00146
H19 H    8  1.399204     -0.1117456    -0.4006906    0.25          2.00146
H20 H    8  1.282254     -0.3060152    -0.4056762    0.25          2.00146
H21 H    8  1.306644     -0.3114375    -0.5570101    0.25          2.00146
H22 H    8  1.380355     -0.2782871    -0.4055939    0.25          2.00146
H23 H    8  1.367985     0.06114029    -0.3831041    0.25          2.00146
H24 H    8  1.359643     0.060513      -0.5481455    0.25          2.00146
H25 H    8  1.209677     0.1040471     -0.6127102    0.25          2.00146
H26 H    8  1.216228     0.1025072     -0.4437324    0.25          2.00146
H27 H    8  1.339943     0.2191508     -0.4729682    0.25          2.00146
H28 H    8  1.267462     0.2248403     -0.6160133    0.25          2.00146
H29 H    8  1.14644      0.463188      -0.4795663    0.25          2.00146
H30 H    8  1.251052     0.5868366     -0.4865586    0.25          2.00146
H31 H    8  1.358994     0.36027       -0.476408     0.25          2.00146
H32 H    8  1.414688     0.4991089     -0.5731612    0.25          2.00146
H33 H    8  1.392648     0.5934315     -0.4883189    0.25          2.00146
H34 H    8  1.449409     0.5032214     -0.3950091    0.25          2.00146
H35 H    8  1.152595     0.2677882     -0.537253     0.25          2.00146
H36 H    8  1.208915     0.2739765     -0.3705752    0.25          2.00146