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CIF file

# This CIF file was created by TO_anneal version 1.007

data_209_1_2_bgbmin.cif
# energy = 1.437832
#FD = 23.26 T-atoms/1000 Angstroms^3

_cell_length_a           16.0403
_cell_length_b           16.0403
_cell_length_c           16.0403
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'F 4 3 2'
_symmetry_Int_Tables_number 209

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.21955 0.17954 0.07490
O O_11_1 0.25000 0.25000 0.13779
O O_11_2 0.20773 0.11683 -0.08494
O O_11_3 0.30121 0.19879 0.00000

_iza_sc_Energy_eV_TO2 = 1.437832

_iza_sc_FrameworkDensity = 23.261154

_iza_sc_avgTD10 = 1087.000

loop_
_iza_sc_CoordinationSequence
1 4 9 18 32 60 98 128 182 251 304 358 470 576 620 705

loop_
_iza_sc_VertexSymbols
3.4.6.12_{23}.6.12_{23}

#MMJT_TO_anneal_parms 9 16.040330971 0.219549342 0.179544072 0.074903429 0.137785385 0.207728824 0.116833662 -0.084942749 0.198788356 1.437832144
# Graph Descriptor
# 209
# 1
# 0 
# 3
# 0 3 0
# 0 11 0
# 0 38 0

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209_1_2 Dupes Run TOTOPOL

CIF file