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CIF file

# This CIF file was created by TO_anneal version 1.007

data_212_1_145_bgbmin.cif
# energy = 3.576113
#FD = 26.18 T-atoms/1000 Angstroms^3

_cell_length_a           9.7143
_cell_length_b           9.7143
_cell_length_c           9.7143
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 43 3 2'
_symmetry_Int_Tables_number 212

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.00025 0.24496 -0.24496
O O_11_1 0.10448 0.48037 -0.39549
O O_11_2 0.26930 0.38572 -0.12109

_iza_sc_Energy_eV_TO2 = 3.576113

_iza_sc_FrameworkDensity = 26.180092

_iza_sc_avgTD10 = 697.000

loop_
_iza_sc_CoordinationSequence
1 4 8 13 22 38 64 89 112 150 196 229 260 324 390 425

loop_
_iza_sc_VertexSymbols
3.14_{75}.4.4.14_{30}.14_{30}

#MMJT_TO_anneal_parms 10 9.714341273 0.000246550 0.244963293 -0.244962782 0.104484756 0.480366356 -0.395487564 0.269296127 0.385723262 -0.121088630 3.576112531
# Graph Descriptor
# 212
# 1
# 0 
# 2
# 0 12 0
# 0 41 0

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212_1_145 Dupes Run TOTOPOL

CIF file