LMucko/crystallography-open-database huggingface dataset:
Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at 185 K and the 3<i>c</i> superstructure at 176 K
Bagautdinov, Bagautdin; Pilz, Katrin; Ludecke, Jens; van Smaalen, Sander; Acta Crystallographica Section B 55 (1999) 886–895; doi:10.1107/S0108768199008071

data_2105674
_publ_section_title
;
 Modulated structures of Cs~2~HgCl~4~: the 5<i>a</i> superstructure at
 185 K and the 3<i>c</i> superstructure at 176 K
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              886
_journal_page_last               895
_journal_paper_doi               10.1107/S0108768199008071
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'Cl4 Cs2 Hg'
_chemical_formula_weight         608.2
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.77290(10)
_cell_length_b                   7.5276(4)
_cell_length_c                   13.3727(7)
_cell_volume                     983.78(7)
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     .7000
_cod_data_source_file            se0279.cif
_cod_data_source_block           5a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P nma'
_cod_database_code               2105674
Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction
Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.; Acta Crystallographica Section B 55 (1999) 517–524; doi:10.1107/S0108768199003614

data_2105677
_publ_section_title
;
 Structure determination of lithium chloroacetate, lithium bromoacetate
 and lithium iodoacetate by powder diffraction
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              517
_journal_page_last               524
_journal_paper_doi               10.1107/S0108768199003614
_journal_volume                  55
_journal_year                    1999
_chemical_formula_structural     Cl-CH2-COOLi
_chemical_formula_sum            'C2 H2 Cl Li O2'
_chemical_formula_weight         100.43
_chemical_melting_point          483.7
_chemical_name_common            'lithium chloroacetate'
_chemical_name_systematic        'chloroacetic acid, lithium salt'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_cell_angle_alpha                90
_cell_angle_beta                 94.330(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3882(9)
_cell_length_b                   4.8452(4)
_cell_length_c                   9.0119(7)
_cell_measurement_temperature    298
_cell_volume                     408.76(6)
_computing_cell_refinement       FULLPROF
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_radiation_monochromator  Germanium
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.2841
_refine_ls_goodness_of_fit_all   2.24
_cod_data_source_file            hr0041.cif
_cod_data_source_block           cl
_cod_depositor_comments
;
Adding '_diffrn_ambient_temperature      298', assuming 'YES' to be
indication of room temperature S.G.

The following automatic conversions were performed:

'_diffrn_ambient_temperature' value 'YES' was changed to '?' - the
value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2105677
Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction
Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.; Acta Crystallographica Section B 55 (1999) 517–524; doi:10.1107/S0108768199003614

data_2105678
_publ_section_title
;
 Structure determination of lithium chloroacetate, lithium bromoacetate
 and lithium iodoacetate by powder diffraction
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              517
_journal_page_last               524
_journal_paper_doi               10.1107/S0108768199003614
_journal_volume                  55
_journal_year                    1999
_chemical_formula_structural     Br-CH2-COOLi
_chemical_formula_sum            'C2 H2 Br Li O2'
_chemical_formula_weight         144.88
_chemical_melting_point          478.5
_chemical_name_common            'lithium bromoacetat'
_chemical_name_systematic        'bromoacetic acid, lithium salt'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_cell_angle_alpha                90
_cell_angle_beta                 93.946(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7165(11)
_cell_length_b                   4.8610(6)
_cell_length_c                   9.0228(11)
_cell_measurement_temperature    298
_cell_volume                     425.15(9)
_computing_cell_refinement       FULLPROF
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_radiation_monochromator  Germanium
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.2841
_refine_ls_goodness_of_fit_all   2.24
_cod_data_source_file            hr0041.cif
_cod_data_source_block           br
_cod_depositor_comments
;
Adding '_diffrn_ambient_temperature      298', assuming 'YES' to be
indication of room temperature S.G.

The following automatic conversions were performed:

'_diffrn_ambient_temperature' value 'YES' was changed to '?' - the
value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2105678
Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction
Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.; Acta Crystallographica Section B 55 (1999) 517–524; doi:10.1107/S0108768199003614

data_2105679
_publ_section_title
;
 Structure determination of lithium chloroacetate, lithium bromoacetate
 and lithium iodoacetate by powder diffraction
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              517
_journal_page_last               524
_journal_paper_doi               10.1107/S0108768199003614
_journal_volume                  55
_journal_year                    1999
_chemical_formula_structural     I-CH2-COOLi
_chemical_formula_sum            'C2 H2 I Li O2'
_chemical_formula_weight         191.88
_chemical_melting_point          530.2
_chemical_name_common            'lithium iodoacetate'
_chemical_name_systematic        'iodoacetic acid, lithium salt'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.251(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1812(10)
_cell_length_b                   4.8922(8)
_cell_length_c                   9.0468(10)
_cell_measurement_temperature    298
_cell_volume                     449.88(10)
_computing_cell_refinement       FULLPROF
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_radiation_monochromator  Germanium
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.2006
_refine_ls_goodness_of_fit_all   2.03
_cod_data_source_file            hr0041.cif
_cod_data_source_block           i
_cod_depositor_comments
;
 Adding the _atom_type_symbol data item to the _atom_type loop.
 The values of the _atom_type_symbol data item were inferred from
 the _atom_site_type_symbol and _atom_site_label data items.

 Antanas Vaitkus,
 2017-01-11

Adding '_diffrn_ambient_temperature      298', assuming 'YES' to be
indication of room temperature S.G.

The following automatic conversions were performed:

'_diffrn_ambient_temperature' value 'YES' was changed to '?' - the
value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        449.89(10)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               2105679
Enantiotropically related polymorphs of gaboxadol hydrochloride
Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.; Acta Crystallographica Section C 69 (2013) 1234–1237; doi:10.1107/S0108270113025961

data_2019269
_publ_section_title
;
 Enantiotropically related polymorphs of gaboxadol hydrochloride
;
_journal_coeditor_code           FM3008
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1234
_journal_page_last               1237
_journal_paper_doi               10.1107/S0108270113025961
_journal_volume                  69
_journal_year                    2013
_chemical_formula_moiety         'C6 H9 N2 O2 +, Cl -'
_chemical_formula_sum            'C6 H9 Cl N2 O2'
_chemical_formula_weight         176.60
_chemical_name_common            'Gaboxadol hydrochloride'
_chemical_name_systematic
;
4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridin-3-ol hydrochloride
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                89.683
_cell_angle_beta                 92.077
_cell_angle_gamma                99.652
_cell_formula_units_Z            8
_cell_length_a                   13.6018
_cell_length_b                   6.6783
_cell_length_c                   17.0168
_cell_volume                     1522.871
_cod_data_source_file            fm3008.cif
_cod_data_source_block           RT_I-1
_cod_original_cell_volume        1522.86
_cod_original_sg_symbol_Hall     '-I 1'
_cod_database_code               2019269
Spectroscopic, structural and magnetic investigations of iron(II) complexes based on 1-isopropyl- and 1-isobutyl-substituted tetrazole ligands
Nader Hassan; Julia Stelzl; Peter Weinberger; Gabor Molnar; Azzedine Bousseksou; Frank Kubel; Kurt Mereiter; Roman Boca; Wolfgang Linert; Inorganica Chimica Acta 396 (2013) 92–100; doi:10.1016/j.ica.2012.10.007

data_1512993
_publ_section_title
;
 Spectroscopic, structural and magnetic investigations of iron(II)
 complexes based on 1-isopropyl- and 1-isobutyl-substituted tetrazole
 ligands
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              92
_journal_page_last               100
_journal_paper_doi               10.1016/j.ica.2012.10.007
_journal_volume                  396
_journal_year                    2013
_chemical_formula_sum            'C24 H48 B2 F8 N24 Ni'
_chemical_formula_weight         905.19
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   11.0211(10)
_cell_length_b                   11.0211(10)
_cell_length_c                   31.958(6)
_cell_volume                     3361.7(8)
_cod_data_source_file            ICA-2013-396-92-100-1.cif
_cod_data_source_block           1274rtfm
_cod_original_cell_volume        3361.71
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1512993
Spectroscopic, structural and magnetic investigations of iron(II) complexes based on 1-isopropyl- and 1-isobutyl-substituted tetrazole ligands
Nader Hassan; Julia Stelzl; Peter Weinberger; Gabor Molnar; Azzedine Bousseksou; Frank Kubel; Kurt Mereiter; Roman Boca; Wolfgang Linert; Inorganica Chimica Acta 396 (2013) 92–100; doi:10.1016/j.ica.2012.10.007

data_1512994
_publ_section_title
;
 Spectroscopic, structural and magnetic investigations of iron(II)
 complexes based on 1-isopropyl- and 1-isobutyl-substituted tetrazole
 ligands
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              92
_journal_page_last               100
_journal_paper_doi               10.1016/j.ica.2012.10.007
_journal_volume                  396
_journal_year                    2013
_chemical_formula_sum            'C30 H60 B2 F8 N24 Ni'
_chemical_formula_weight         989.33
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   10.8629(3)
_cell_length_b                   10.8629(3)
_cell_length_c                   36.4816(16)
_cell_volume                     3728.2(2)
_cod_data_source_file            ICA-2013-396-92-100-2.cif
_cod_data_source_block           1277x1
_cod_original_cell_volume        3728.17
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1512994
Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting
Fry, Allyson M.; Woodward, Patrick M.; Crystal Growth & Design 13 (2013) 5404–; doi:10.1021/cg401342q

data_4508551
_publ_section_title
;
 Structures of \a-K3MoO3F3and \a-Rb3MoO3F3: Ferroelectricity from Anion
 Ordering and Noncooperative Octahedral Tilting
;
_journal_issue                   12
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5404
_journal_paper_doi               10.1021/cg401342q
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'F15 K15 Mo5 O15'
_chemical_formula_weight         1591.13
_chemical_name_systematic        ' ?'
_space_group_IT_number           80
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw'
_symmetry_space_group_name_H-M   'I 41'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   19.386129(27)
_cell_length_b                   19.386129
_cell_length_c                   34.86739(8)
_cell_measurement_temperature    300
_cell_volume                     13103.93(4)
_pd_block_id
2013-05-15T17:03|300_K3MOO3F3_RIET_CO_phase1|Ally||
_pd_phase_name
'from C:/gsas/Connectivity/K3MoO3F3/300_Riet/2AF26_2_300K_riet.cif'
_cod_data_source_file            cg401342q_si_002.cif
_cod_data_source_block           300_K3MOO3F3_RIET_CO_phase_1
_cod_database_code               4508551
Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting
Fry, Allyson M.; Woodward, Patrick M.; Crystal Growth & Design 13 (2013) 5404–; doi:10.1021/cg401342q

data_4508552
_publ_section_title
;
 Structures of \a-K3MoO3F3and \a-Rb3MoO3F3: Ferroelectricity from Anion
 Ordering and Noncooperative Octahedral Tilting
;
_journal_issue                   12
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5404
_journal_paper_doi               10.1021/cg401342q
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'F15 Mo5 O15 Rb15'
_chemical_formula_weight         2286.68
_chemical_name_systematic        ' ?'
_space_group_IT_number           80
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw'
_symmetry_space_group_name_H-M   'I 41'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   20.07484(4)
_cell_length_b                   20.07484
_cell_length_c                   36.16937(12)
_cell_volume                     14576.23(6)
_pd_block_id
2013-08-04T13:23|300_RB3MOO3F3_RIET_C_phase1|Ally||
_pd_phase_name
'from C:/gsas/Connectivity/K3MoO3F3/300_Riet/2AF26_2_300K_riet.cif'
_cod_data_source_file            cg401342q_si_002.cif
_cod_data_source_block           300_RB3MOO3F3_RIET_C_phase_1
_cod_database_code               4508552
Electrochemical Reactivity with Lithium of Spinel-type ZnFe2‒yCryO4(0 ≤y≤ 2)
Teh, Pei Fen; Pramana, Stevin S.; Kim, Chunjoong; Chen, Chieh-Ming; Chuang, Cheng-Hao; Sharma, Yogesh; Cabana, Jordi; Madhavi, Srinivasan; The Journal of Physical Chemistry C 117 (2013) 24213–; doi:10.1021/jp408762v

data_1513087
_publ_section_title
;
 Electrochemical Reactivity with Lithium of Spinel-type ZnFe2--yCryO4(0
 &#x2264;y&#x2264; 2)
;
_journal_issue                   46
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              24213
_journal_paper_doi               10.1021/jp408762v
_journal_volume                  117
_journal_year                    2013
_chemical_formula_structural     '(Zn0.57 Fe0.43) (Zn0.43 Fe1.57) O4'
_chemical_formula_sum            'Fe2 O4 Zn'
_chemical_name_systematic        'Zinc Diiron(III) Tetraoxide'
_space_group_IT_number           227
_symmetry_Int_Tables_number      227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_audit_creation_date             2002/10/01
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   8.4313(5)
_cell_length_b                   8.4313(5)
_cell_length_c                   8.4313(5)
_cell_volume                     599.35(6)
_refine_ls_R_factor_all          0.061
_cod_data_source_file            jp408762v_si_001.cif
_cod_data_source_block           91829-ICSD
_cod_original_cell_volume        599.35
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_original_formula_sum        'Fe2 O4 Zn1'
_cod_database_code               1513087
The ITQ-37 mesoporous chiral zeolite.
Sun, Junliang; Bonneau, Charlotte; Cantín, Ángel; Corma, Avelino; Díaz-Cabañas, María J.; Moliner, Manuel; Zhang, Daliang; Li, Mingrun; Zou, Xiaodong; Nature 458 (2009) 1154–1157; doi:10.1038/nature07957

data_1513174
_publ_section_title
;
 The ITQ-37 mesoporous chiral zeolite.
;
_journal_issue                   7242
_journal_name_full               Nature
_journal_page_first              1154
_journal_page_last               1157
_journal_paper_doi               10.1038/nature07957
_journal_volume                  458
_journal_year                    2009
_chemical_formula_moiety         |(C22N2H40)10.5(H2O)x|[Ge80Si112O400H32F20]
_chemical_formula_sum            'C231 H700 F20 Ge80 N21 O524 Si112'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   26.51263(27)
_cell_length_b                   26.51263(27)
_cell_length_c                   26.51263(27)
_cell_volume                     18636.2(3)
_cod_data_source_file            nature07957-s2.txt
_cod_data_source_block           ITQ37
_cod_original_cell_volume        18636.25(58)
_cod_database_code               1513174
Single crystal growth and structural characterization of iron telluride doped with chromium and zinc'
Pawel Zajdel; Iza Kruk; To be published in Journal of Crystal Growth  () –; doi:

data_3000032
_publ_section_title
;

 Single crystal growth and structural characterization of iron telluride

 doped with chromium and zinc'

;
_journal_name_full               'To be published in Journal of Crystal Growth'
_chemical_formula_sum            'Fe2.18 Te2'
_chemical_name_common            '\b-iron telluride'
_chemical_name_systematic
;

 \b-iron telluride

;
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.82850(10)
_cell_length_b                   3.82850(10)
_cell_length_c                   6.2984(2)
_cell_measurement_temperature    293(2)
_cell_volume                     92.318(4)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0194
_refine_ls_wR_factor_gt          0.0450
_refine_ls_wR_factor_ref         0.0466
_cod_database_code               3000032
_cod_hold_until_date             2014-05-18
Single crystal growth and structural characterization of iron telluride doped with chromium and zinc'
Pawel Zajdel; Iza Kruk; To be published in Journal of Crystal Growth  () –; doi:

data_3000033
_publ_section_title
;

 Single crystal growth and structural characterization of iron telluride

 doped with chromium and zinc'

;
_journal_name_full               'To be published in Journal of Crystal Growth'
_chemical_formula_sum            'Fe2.12 Te2'
_chemical_name_common            '\b-iron telluride'
_chemical_name_systematic
;

 \b-iron telluride

;
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.82320(10)
_cell_length_b                   3.82320(10)
_cell_length_c                   6.2846(2)
_cell_measurement_temperature    293(2)
_cell_volume                     91.861(4)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_refine_ls_goodness_of_fit_ref   1.227
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0223
_refine_ls_wR_factor_gt          0.0517
_refine_ls_wR_factor_ref         0.0517
_cod_database_code               3000033
_cod_hold_until_date             2014-05-18