LMucko/crystallography-open-database huggingface dataset:
The effect of high pressure on the crystal structure of La Os2 and Ce Os2
Cannon, J.F.; Robertson, D.L.; Lawson, A.C.; Hall, H.T.; Journal of the Less-Common Metals 31 (1973) 174–176; doi:

data_1537657
_publ_section_title
;
 The effect of high pressure on the crystal structure of La Os2 and Ce Os2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              174
_journal_page_last               176
_journal_volume                  31
_journal_year                    1973
_chemical_formula_sum            'La Os2'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.743
_cell_length_b                   7.743
_cell_length_c                   7.743
_cell_volume                     464.224
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Cannon_JCOMAH_1973_413.cif
_cod_data_source_block           La1Os2
_cod_original_cell_volume        464.2242
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'La1 Os2'
_cod_database_code               1537657
Lu - Lu2 S3 system
Andreev, O.V.; Parshukov, N.N.; Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 27 (1991) 2156–2159; doi:

data_1537658
_publ_section_title
;
 Lu - Lu2 S3 system
;
_journal_name_full
;
Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
;
_journal_page_first              2156
_journal_page_last               2159
_journal_volume                  27
_journal_year                    1991
_chemical_formula_sum            'Lu S'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.348
_cell_length_b                   5.348
_cell_length_c                   5.348
_cell_volume                     152.959
_citation_journal_id_ASTM        INOMAF
_cod_data_source_file            Andreev_INOMAF_1991_537.cif
_cod_data_source_block           Lu1S1
_cod_original_cell_volume        152.9587
_cod_original_formula_sum        'Lu1 S1'
_cod_database_code               1537658
La reduction des halogenures d'yttrium par le magnesiummethode d'obtention d'alliages magnesium-yttrium
Caro, P.; Journal of the Less-Common Metals 8 (1965) 235–255; doi:

data_1537659
_publ_section_title
;
 La reduction des halogenures d'yttrium par le magnesiummethode
 d'obtention d'alliages magnesium-yttrium
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              235
_journal_page_last               255
_journal_volume                  8
_journal_year                    1965
_chemical_formula_sum            'Mg Y'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.789
_cell_length_b                   3.789
_cell_length_c                   3.789
_cell_volume                     54.397
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Caro_JCOMAH_1965_578.cif
_cod_data_source_block           Mg1Y1
_cod_original_cell_volume        54.39686
_cod_original_formula_sum        'Mg1 Y1'
_cod_database_code               1537659
Reaction in the systems Ba S - Ln2 S3 (Ln= La, Nd)
Andreev, O.V.; Kertman, A.V.; Bamburov, V.G.; Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 36 (1991) 1472–1476; doi:

data_4031641
_publ_section_title
;
 Reaction in the systems Ba S - Ln2 S3 (Ln= La, Nd)
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              1472
_journal_page_last               1476
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'S4 Sm2 Zn'
_chemical_name_systematic        'Sm2 Zn S4'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.56
_cell_length_b                   8.56
_cell_length_c                   8.56
_cell_volume                     627.222
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Andreev_RJICAQ_1991_1753.cif
_cod_data_source_block           S4Sm2Zn1
_cod_original_cell_volume        627.2221
_cod_original_formula_sum        'S4 Sm2 Zn1'
_cod_database_code               4031641
Resistivities and lattice-parameters of some palladium and niobium alloys
Catterall, J.A.; Barker, S.M.; Planseeberichte fuer Pulvermetallurgie 1964 (1965) 577–586; doi:

data_1537660
_publ_section_title
;
 Resistivities and lattice-parameters of some palladium and niobium alloys
;
_journal_name_full               'Planseeberichte fuer Pulvermetallurgie'
_journal_page_first              577
_journal_page_last               586
_journal_volume                  1964
_journal_year                    1965
_chemical_formula_sum            'Pd3.184 Zr0.816'
_chemical_name_systematic        '(Pd4 Zr)0.8'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9627
_cell_length_b                   3.9627
_cell_length_c                   3.9627
_cell_volume                     62.226
_citation_journal_id_ASTM        PLPUA5
_cod_data_source_file            Catterall_PLPUA5_1965_1454.cif
_cod_data_source_block           Pd3.184Zr0.816
_cod_original_cell_volume        62.22624
_cod_database_code               1537660
Lanthanum nickel hydride
Andresen, A.; Hydrides for Energy Storage, Norway 1977 (1977) 61–61; doi:

data_1537661
_publ_section_title
;
 Lanthanum nickel hydride
;
_journal_name_full               'Hydrides for Energy Storage, Norway'
_journal_page_first              61
_journal_page_last               61
_journal_volume                  1977
_journal_year                    1977
_chemical_formula_sum            'H5.6 La Ni5'
_chemical_name_systematic        'La Ni5 H5.6'
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.41
_cell_length_b                   5.41
_cell_length_c                   4.293
_cell_volume                     108.814
_citation_journal_id_ASTM        40AOAU
_cod_data_source_file            Andresen_40AOAU_1977_78.cif
_cod_data_source_block           H5.6La1Ni5
_cod_original_cell_volume        108.8143
_cod_original_formula_sum        'H5.6 La1 Ni5'
_cod_database_code               1537661
Resistivities and lattice-parameters of some palladium and niobium alloys
Catterall, J.A.; Barker, S.M.; Planseeberichte fuer Pulvermetallurgie 1964 (1965) 577–586; doi:

data_1537662
_publ_section_title
;
 Resistivities and lattice-parameters of some palladium and niobium alloys
;
_journal_name_full               'Planseeberichte fuer Pulvermetallurgie'
_journal_page_first              577
_journal_page_last               586
_journal_volume                  1964
_journal_year                    1965
_chemical_formula_sum            'Mo0.96 Nb1.04'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.2136
_cell_length_b                   3.2136
_cell_length_c                   3.2136
_cell_volume                     33.188
_citation_journal_id_ASTM        PLPUA5
_cod_data_source_file            Catterall_PLPUA5_1965_694.cif
_cod_data_source_block           Mo0.96Nb1.04
_cod_original_cell_volume        33.18757
_cod_database_code               1537662
Formation and crystal structure of Th Ni2 Dx
Andresen, A.F.; Fjellvag, H.; Maeland, A.J.; Journal of the Less-Common Metals 103 (1984) 27–31; doi:

data_1537663
_publ_section_title
;
 Formation and crystal structure of Th Ni2 Dx
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              27
_journal_page_last               31
_journal_volume                  103
_journal_year                    1984
_chemical_formula_sum            'Ni2 Th'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.965
_cell_length_b                   3.965
_cell_length_c                   3.856
_cell_volume                     52.499
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Andresen_JCOMAH_1984_1103.cif
_cod_data_source_block           Ni2Th1
_cod_original_cell_volume        52.49936
_cod_original_formula_sum        'Ni2 Th1'
_cod_database_code               1537663
Superconductivity near 70 K in a new family of layered copper oxides
Cava, R.J.; Gallagher, P.K.; Batlogg, B.; Krajewski, J.J.; Rupp, L.W.jr.; Schneemeyer, L.F.; Siegrist, T.; Waszczak, J.V.; van Dover, R.B.; Hull, R.; Marsh, P.; Glarum, S.H.; Marshall, J.H.; Peck, W.F.jr.; Trevor, P.L.; Farrow, R.F.C.; Nature (London) 336 (1988) 211–214; doi:

data_1537664
_publ_section_title
;
 Superconductivity near 70 K in a new family of layered copper oxides
;
_journal_name_full               'Nature (London)'
_journal_page_first              211
_journal_page_last               214
_journal_volume                  336
_journal_year                    1988
_chemical_formula_sum            'Cu3 Nd0.76 O8 Pb2 Sr2.24'
_chemical_name_systematic        'Pb2 Sr2.24 Nd0.76 Cu3 O8'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.435
_cell_length_b                   5.463
_cell_length_c                   15.817
_cell_volume                     469.629
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Cava_NATUAS_1988_935.cif
_cod_data_source_block           Cu3Nd0.76O8Pb2Sr2.24
_cod_original_cell_volume        469.6289
_cod_database_code               1537664
Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate.
Aoyama, T.; Ohba, S.; Saito, Y.; Acta Crystallographica C (39,1983-) 44 (1988) 1703–1707; doi:

data_2020168
_publ_section_title
;
 Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium
 tetranitrite tetrahydrate and cadmium strontium tetranitrite
 tetrahydrate.
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1703
_journal_page_last               1707
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Cd H4 Mg N4 O10'
_chemical_name_systematic        'Cd Mg (N O2)4 (H2 O)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.441
_cell_length_b                   6.958
_cell_length_c                   12.017
_cell_volume                     956.210
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Aoyama_ACSCEE_1988_962.cif
_cod_data_source_block           H4Cd1Mg1N4O10
_cod_original_cell_volume        956.21
_cod_original_formula_sum        'H4 Cd1 Mg1 N4 O10'
_cod_database_code               2020168
Refinement of Hf Fe6 Ge6 isostructural Sc Mn6 Sn6 and Tb Mn6 Sn6
Chafik El Idrissi, B.; Venturini, G.; Malaman, B.; Materials Research Bulletin 26 (1991) 431–437; doi:

data_1537665
_publ_section_title
;
 Refinement of Hf Fe6 Ge6 isostructural Sc Mn6 Sn6 and Tb Mn6 Sn6
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              431
_journal_page_last               437
_journal_volume                  26
_journal_year                    1991
_chemical_formula_sum            'Mn6 Sn6 Tb'
_chemical_name_systematic        'Mn6 Tb Sn6'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.53
_cell_length_b                   5.53
_cell_length_c                   9.023
_cell_volume                     238.964
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            ChafikElIdrissi_MRBUAC_1991_665.cif
_cod_data_source_block           Mn6Sn6Tb1
_cod_original_cell_volume        238.9637
_cod_original_formula_sum        'Mn6 Sn6 Tb1'
_cod_database_code               1537665
Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate.
Aoyama, T.; Saito, Y.; Ohba, S.; Acta Crystallographica C (39,1983-) 44 (1988) 1703–1707; doi:

data_2020169
_publ_section_title
;
 Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium
 tetranitrite tetrahydrate and cadmium strontium tetranitrite
 tetrahydrate.
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1703
_journal_page_last               1707
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Ca Cd H8 N4 O12'
_chemical_name_systematic        'Cd Ca (N O2)4 (H2 O)4'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.5003
_cell_length_b                   7.5003
_cell_length_c                   18.413
_cell_volume                     897.041
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Aoyama_ACSCEE_1988_965.cif
_cod_data_source_block           H8Ca1Cd1N4O12
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        897.0413
_cod_original_formula_sum        'H8 Ca1 Cd1 N4 O12'
_cod_database_code               2020169
New CsCl-type intermetallic phases in binary alloys involving rare earth elements
Chao, C.C.; Duwez, P.; Journal of Applied Physics 37 (1966) 2631–2632; doi:

data_1537666
_publ_section_title
;
 New CsCl-type intermetallic phases in binary alloys involving rare earth
 elements
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              2631
_journal_page_last               2632
_journal_volume                  37
_journal_year                    1966
_chemical_formula_sum            'Hg Yb'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.735
_cell_length_b                   3.735
_cell_length_c                   3.735
_cell_volume                     52.104
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Chao_JAPIAU_1966_166.cif
_cod_data_source_block           Hg1Yb1
_cod_original_cell_volume        52.10409
_cod_original_formula_sum        'Hg1 Yb1'
_cod_database_code               1537666
Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium tetranitrite tetrahydrate and cadmium strontium tetranitrite tetrahydrate.
Aoyama, T.; Ohba, S.; Saito, Y.; Acta Crystallographica C (39,1983-) 44 (1988) 1703–1707; doi:

data_2020170
_publ_section_title
;
 Structures of cadmium magnesium tetranitrite dihydrate, cadmiun calcium
 tetranitrite tetrahydrate and cadmium strontium tetranitrite
 tetrahydrate.
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1703
_journal_page_last               1707
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Cd H8 N4 O12 Sr'
_chemical_name_systematic        'Cd Sr (N O2)4 (H2 O)4'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.6379
_cell_length_b                   7.6379
_cell_length_c                   18.707
_cell_volume                     945.111
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Aoyama_ACSCEE_1988_966.cif
_cod_data_source_block           H8Cd1N4O12Sr1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        945.1108
_cod_original_formula_sum        'H8 Cd1 N4 O12 Sr1'
_cod_database_code               2020170
A study of the 119Sn Moessbauer isomer shifts in some platinum-tin and gold-tin alloys
Charlton, J.S.; Cordey-Hayes, M.; Harris, I.R.; Journal of the Less-Common Metals 20 (1970) 105–112; doi:

data_1537667
_publ_section_title
;
 A study of the 119Sn Moessbauer isomer shifts in some platinum-tin and
 gold-tin alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              105
_journal_page_last               112
_journal_volume                  20
_journal_year                    1970
_chemical_formula_sum            'Pt Sn'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.1014
_cell_length_b                   4.1014
_cell_length_c                   5.4405
_cell_volume                     79.256
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Charlton_JCOMAH_1970_1537.cif
_cod_data_source_block           Pt1Sn1
_cod_original_cell_volume        79.25628
_cod_original_formula_sum        'Pt1 Sn1'
_cod_database_code               1537667
The crystal structures of synthetic anhydrous carnotite, K2 (U O2)2 V2 O8, and its cesium analogue, Cs2 (U O2)2 V O8
Appleman, D.E.; Evans, H.T.jr.; American Mineralogist 50 (1965) 825–842; doi:

data_1537668
_publ_section_title
;
 The crystal structures of synthetic anhydrous carnotite, K2 (U O2)2 V2
 O8, and its cesium analogue, Cs2 (U O2)2 V O8
;
_journal_name_full               'American Mineralogist'
_journal_page_first              825
_journal_page_last               842
_journal_volume                  50
_journal_year                    1965
_chemical_formula_sum            'K2 O12 U2 V2'
_chemical_name_systematic        'K2 (U O2)2 (V O4)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.83
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.47
_cell_length_b                   8.41
_cell_length_c                   6.59
_cell_volume                     563.445
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Appleman_AMMIAY_1965_1101.cif
_cod_data_source_block           K2O12U2V2
_cod_original_cell_volume        563.4449
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_database_code               1537668
Structures of oxonium pentafluorozirconate mono- and dihydrates.
Charpin, P.; Lance, M.; Nierlich, M.; Vigner, J.; Lambard, J.; Acta Crystallographica C (39,1983-) 44 (1988) 1698–1701; doi:

data_2020171
_publ_section_title
;
 Structures of oxonium pentafluorozirconate mono- and dihydrates.
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1698
_journal_page_last               1701
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'F5 H5 O2 Zr'
_chemical_name_systematic        'Zr F5 H3 O (H2 O)'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.62
_cell_length_b                   9.858
_cell_length_c                   8.066
_cell_volume                     526.387
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Charpin_ACSCEE_1988_957.cif
_cod_data_source_block           H5F5O2Zr1
_cod_original_cell_volume        526.3868
_cod_original_formula_sum        'H5 F5 O2 Zr1'
_cod_database_code               2020171
Neutron-diffraction study of ice polymorphs. III. Ice Ic
Arnold, G.P.; Finch, E.D.; Wenzel, R.G.; Rabideau, S.W.; Journal of Chemical Physics 49 (1968) 4365–4369; doi:

data_1537669
_publ_section_title
;
 Neutron-diffraction study of ice polymorphs. III. Ice Ic
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              4365
_journal_page_last               4369
_journal_volume                  49
_journal_year                    1968
_chemical_formula_sum            'D2 O'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.353
_cell_length_b                   6.353
_cell_length_c                   6.353
_cell_volume                     256.411
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Arnold_JCPSA6_1968_1229.cif
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