LMucko/crystallography-open-database huggingface dataset:
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja044529y

data_4100027
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja044529y
_journal_year                    2005
_chemical_formula_sum            'C50 H78 Sm2'
_chemical_formula_weight         979.82
_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                90.00
_cell_angle_beta                 101.026(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3456(10)
_cell_length_b                   21.6734(19)
_cell_length_c                   19.3685(17)
_cell_measurement_temperature    138(2)
_cell_volume                     4674.8(7)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100027
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050160g

data_4100028
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050160g
_journal_year                    2005
_chemical_formula_sum            'C35 H36 Co O2 P S Si'
_chemical_formula_weight         638.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.665(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.978(3)
_cell_length_b                   17.896(6)
_cell_length_c                   18.049(6)
_cell_measurement_temperature    218(2)
_cell_volume                     3216.3(18)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100028
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050160g

data_4100029
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050160g
_journal_year                    2005
_chemical_formula_sum            'C24 H24 Co2 S2'
_chemical_formula_weight         494.41
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.239(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.381(3)
_cell_length_b                   5.8345(10)
_cell_length_c                   11.3055(18)
_cell_measurement_temperature    173(2)
_cell_volume                     1061.2(3)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2
_cod_database_code               4100029
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja050160g

data_4100030
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050160g
_journal_year                    2005
_chemical_formula_sum            'C35 H36 Co O P S Si'
_chemical_formula_weight         622.69
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.952(2)
_cell_angle_beta                 89.251(2)
_cell_angle_gamma                75.278(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0966(12)
_cell_length_b                   10.7124(14)
_cell_length_c                   17.936(2)
_cell_measurement_temperature    218(2)
_cell_volume                     1629.8(4)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4100030
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042208g

data_4100031
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042208g
_journal_year                    2005
_chemical_formula_moiety         '2(C31 H37 N3 O4), 2(C2 H6 O S)'
_chemical_formula_sum            'C66 H86 N6 O10 S2'
_chemical_formula_weight         1187.53
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.321(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.4171(6)
_cell_length_b                   16.4870(5)
_cell_length_c                   18.8953(6)
_cell_measurement_temperature    100(2)
_cell_volume                     6358.8(3)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4100031
; Journal of the American Chemical Society  (2005) –; doi:10.1021/ja042208g

data_4100032
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042208g
_journal_year                    2005
_chemical_formula_moiety         'C32 H39 Cl N3 O4 +, Cl -'
_chemical_formula_sum            'C32 H39 Cl2 N3 O4'
_chemical_formula_weight         600.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 109.968(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5370(3)
_cell_length_b                   26.9572(9)
_cell_length_c                   12.3589(4)
_cell_measurement_temperature    100(2)
_cell_volume                     2986.35(17)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100032
; Journal of the American Chemical Society  (2005) –; doi:

data_4100033
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C17 H20 Cl F4 N3'
_chemical_formula_sum            'C17 H10 Cl F4 N3'
_chemical_formula_weight         367.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.600(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.958(3)
_cell_length_b                   7.5579(17)
_cell_length_c                   15.236(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1461.4(6)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100033
; Journal of the American Chemical Society  (2005) –; doi:

data_4100034
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C17 H10 Cl F4 N3'
_chemical_formula_sum            'C17 H10 Cl F4 N3'
_chemical_formula_weight         367.73
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.863(2)
_cell_angle_beta                 78.833(2)
_cell_angle_gamma                75.604(2)
_cell_formula_units_Z            2
_cell_length_a                   6.8075(7)
_cell_length_b                   9.0631(10)
_cell_length_c                   13.4888(15)
_cell_measurement_temperature    173(2)
_cell_volume                     755.80(14)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4100034
; Journal of the American Chemical Society  (2005) –; doi:

data_4100035
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_sum            'C19 H13 F4 N'
_chemical_formula_weight         331.30
_space_group_IT_number           62
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5926(12)
_cell_length_b                   12.408(2)
_cell_length_c                   15.483(3)
_cell_measurement_temperature    163(2)
_cell_volume                     1458.7(4)
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4100035
; Journal of the American Chemical Society  (2005) –; doi:

data_4100036
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C18 H12 F4 N2'
_chemical_formula_sum            'C18 H12 F4 N2'
_chemical_formula_weight         332.30
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.697(6)
_cell_angle_beta                 90.421(5)
_cell_angle_gamma                98.628(5)
_cell_formula_units_Z            4
_cell_length_a                   7.711(2)
_cell_length_b                   11.939(4)
_cell_length_c                   15.819(5)
_cell_measurement_temperature    173(2)
_cell_volume                     1439.1(7)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4100036
Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton – Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru; Journal of the American Chemical Society 127 (2005) 4354–4371; doi:10.1021/ja0438011

data_4100037
_publ_section_title
;
 Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron
 Compounds Bearing an Anthracene Skeleton -- Elucidation of Hypervalent
 Interaction Based on X-ray Analysis and DFT Calculation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4354
_journal_page_last               4371
_journal_paper_doi               10.1021/ja0438011
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C17 H13 F3 O5 S '
_chemical_formula_sum            'C17 H13 F3 O5 S'
_chemical_formula_weight         386.34
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.016(4)
_cell_angle_beta                 82.571(5)
_cell_angle_gamma                81.014(4)
_cell_formula_units_Z            2
_cell_length_a                   8.5460(6)
_cell_length_b                   9.4300(8)
_cell_length_c                   11.1650(7)
_cell_measurement_temperature    273.2
_cell_volume                     846.6(1)
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_formula_sum        'C17 H13 F3 O5 S '
_cod_database_code               4100037
Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton – Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru; Journal of the American Chemical Society 127 (2005) 4354–4371; doi:10.1021/ja0438011

data_4100038
_publ_section_title
;
 Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron
 Compounds Bearing an Anthracene Skeleton -- Elucidation of Hypervalent
 Interaction Based on X-ray Analysis and DFT Calculation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4354
_journal_page_last               4371
_journal_paper_doi               10.1021/ja0438011
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C20 H23 O6 P '
_chemical_formula_sum            'C20 H23 O6 P'
_chemical_formula_weight         390.37
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0330(2)
_cell_length_b                   11.9530(5)
_cell_length_c                   16.2950(7)
_cell_measurement_temperature    273.2
_cell_volume                     1954.2(1)
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_formula_sum        'C20 H23 O6 P '
_cod_database_code               4100038
Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru; Journal of the American Chemical Society 127 (2005) 4354–4371; doi:10.1021/ja0438011

data_4100039
_publ_section_title
;
 Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron
 Compounds Bearing an Anthracene Skeleton -- Elucidation of Hypervalent
 Interaction Based on X-ray Analysis and DFT Calculation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4354
_journal_page_last               4371
_journal_paper_doi               10.1021/ja0438011
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C15 H12 Br2 O '
_chemical_formula_sum            'C15 H12 Br2 O'
_chemical_formula_weight         368.07
_space_group_IT_number           62
_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                   7.3340(3)
_cell_length_b                   19.5430(4)
_cell_length_c                   9.0820(4)
_cell_measurement_temperature    273.2
_cell_volume                     1301.7(1)
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/n 21/m 21/a'
_cod_original_formula_sum        'C15 H12 Br2 O '
_cod_database_code               4100039
Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru; Journal of the American Chemical Society 127 (2005) 4354–4371; doi:10.1021/ja0438011

data_4100040
_publ_section_title
;
 Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron
 Compounds Bearing an Anthracene Skeleton -- Elucidation of Hypervalent
 Interaction Based on X-ray Analysis and DFT Calculation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4354
_journal_page_last               4371
_journal_paper_doi               10.1021/ja0438011
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C29 H31 F6 K O8'
_chemical_formula_weight         660.64
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.9100(3)
_cell_length_b                   19.2280(5)
_cell_length_c                   23.5150(7)
_cell_measurement_temperature    150(2)
_cell_volume                     6289.4(3)
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4100040
Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru; Journal of the American Chemical Society 127 (2005) 4354–4371; doi:10.1021/ja0438011

data_4100041
_publ_section_title
;
 Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron
 Compounds Bearing an Anthracene Skeleton -- Elucidation of Hypervalent
 Interaction Based on X-ray Analysis and DFT Calculation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4354
_journal_page_last               4371
_journal_paper_doi               10.1021/ja0438011
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C24 H23 B N2 O2 '
_chemical_formula_sum            'C24 H23 B N2 O2'
_chemical_formula_weight         382.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.007(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.3780(6)
_cell_length_b                   7.4670(2)
_cell_length_c                   16.9660(6)
_cell_volume                     2004.1(1)
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01

 Added the summary chemical formula after consulting the original publication.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100041
Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton – Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation
Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru; Journal of the American Chemical Society 127 (2005) 4354–4371; doi:10.1021/ja0438011

data_4100042
_publ_section_title
;
 Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron
 Compounds Bearing an Anthracene Skeleton -- Elucidation of Hypervalent
 Interaction Based on X-ray Analysis and DFT Calculation
;
_journal_coden_ASTM              JACSAT
_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4354
_journal_page_last               4371
_journal_paper_doi               10.1021/ja0438011
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C20 H25 B N2 '
_chemical_formula_sum            'C20 H25 B N2'
_chemical_formula_weight         304.24
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.437(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7260(4)
_cell_length_b                   12.5420(4)
_cell_length_c                   13.0800(4)
_cell_volume                     1759.04(9)
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01

 Added the summary chemical formula after consulting the original publication.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100042