LMucko/crystallography-open-database huggingface dataset:
Rietveld refinement for yttrium aluminium borates from neutron and X-ray diffraction
Meszaros, G.; Svab, E.; Toth, M.; Beregi, E.; Watterich, A.; Physik (Berlin) 276 (2000) 310–311; doi:

data_1526005
_publ_section_title
;
 Rietveld refinement for yttrium aluminium borates from neutron and X-ray
 diffraction
;
_journal_name_full               'Physik (Berlin)'
_journal_page_first              310
_journal_page_last               311
_journal_volume                  276
_journal_year                    2000
_chemical_formula_sum            'Al3 B4 O12 Y'
_chemical_name_systematic        'Y Al3 (B O3)4'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.293
_cell_length_b                   9.293
_cell_length_c                   7.236
_cell_volume                     541.179
_citation_journal_id_ASTM        PHYBE3
_cod_data_source_file            Meszaros_PHYBE3_2000_396.cif
_cod_data_source_block           Al3B4O12Y1
_cod_original_cell_volume        541.1792
_cod_original_formula_sum        'Al3 B4 O12 Y1'
_cod_database_code               1526005
Arsenate zeolite analogues with 11 topological types
Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui; Journal of the American Chemical Society 123 (2001) 8608–8609; doi:

data_4123963
_publ_section_title
;
 Arsenate zeolite analogues with 11 topological types
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8608
_journal_page_last               8609
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'As3 H6 N O13 Zn4'
_chemical_name_systematic        '(N H4) (Zn (H2 O)) (Zn As O4)3'
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.8527
_cell_length_b                   13.8527
_cell_length_c                   13.8527
_cell_volume                     2658.296
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Feng_JACSAT_2001_1121.cif
_cod_data_source_block           H6As3N1O13Zn4
_cod_original_formula_sum        'H6 As3 N1 O13 Zn4'
_cod_database_code               4123963
Rietveld refinement for yttrium aluminium borates from neutron and X-ray diffraction
Meszaros, G.; Svab, E.; Toth, M.; Watterich, A.; Beregi, E.; Physik (Berlin) 276 (2000) 310–311; doi:

data_1526006
_publ_section_title
;
 Rietveld refinement for yttrium aluminium borates from neutron and X-ray
 diffraction
;
_journal_name_full               'Physik (Berlin)'
_journal_page_first              310
_journal_page_last               311
_journal_volume                  276
_journal_year                    2000
_chemical_formula_sum            'Al1.5 B4 Ga1.5 O12 Y'
_chemical_name_systematic        'Y (Al1.5 Ga1.5) (B O3)4'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.342
_cell_length_b                   9.342
_cell_length_c                   7.325
_cell_volume                     553.628
_citation_journal_id_ASTM        PHYBE3
_cod_data_source_file            Meszaros_PHYBE3_2000_397.cif
_cod_data_source_block           Al1.5B4Ga1.5O12Y1
_cod_original_cell_volume        553.6279
_cod_original_formula_sum        'Al1.5 B4 Ga1.5 O12 Y1'
_cod_database_code               1526006
Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations
Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A.; Acta Crystallographica Section A 57 (2001) 264–271; doi:10.1107/S0108767300017955

data_2310326
_publ_section_title
;
 Interatomic potential parameters for potassium tetrachlorozincate and
 their application to modelling its phase transformations
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              264
_journal_page_last               271
_journal_paper_doi               10.1107/S0108767300017955
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'Cl4 K2 Zn'
_chemical_name_systematic        'K2 (Zn Cl4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.046
_cell_length_b                   12.579
_cell_length_c                   6.882
_cell_volume                     783.100
_citation_journal_id_ASTM        ACACEQ
_cod_data_source_file            Ferrari_ACACEQ_2001_867.cif
_cod_data_source_block           Cl4K2Zn1
_cod_original_cell_volume        783.1002
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Cl4 K2 Zn1'
_cod_database_code               2310326
L'oxyde double Te V O4 I. Synthese et polymorphisme, structure cristalline de alpha-Te V O4
Meunier, G.; Darriet, J.; Galy, J.; Journal of Solid State Chemistry 5 (1972) 314–320; doi:

data_1526007
_publ_section_title
;
 L'oxyde double Te V O4 I. Synthese et polymorphisme, structure
 cristalline de alpha-Te V O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              314
_journal_page_last               320
_journal_volume                  5
_journal_year                    1972
_chemical_formula_sum            'O4 Te V'
_chemical_name_systematic        'Te (V O4)'
_space_group_IT_number           14
_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                 105.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.099
_cell_length_b                   4.934
_cell_length_c                   12.672
_cell_volume                     306.687
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Meunier_JSSCBI_1972_1800.cif
_cod_data_source_block           O4Te1V1
_cod_original_formula_sum        'O4 Te1 V1'
_cod_database_code               1526007
Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations
Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A.; Acta Crystallographica Section A 57 (2001) 264–271; doi:10.1107/S0108767300017955

data_2310327
_publ_section_title
;
 Interatomic potential parameters for potassium tetrachlorozincate and
 their application to modelling its phase transformations
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              264
_journal_page_last               271
_journal_paper_doi               10.1107/S0108767300017955
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'Cl4 K2 Zn'
_chemical_name_systematic        'K2 (Zn Cl4)'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   27.251
_cell_length_b                   12.578
_cell_length_c                   7.239
_cell_volume                     2481.262
_citation_journal_id_ASTM        ACACEQ
_cod_data_source_file            Ferrari_ACACEQ_2001_868.cif
_cod_data_source_block           Cl4K2Zn1
_cod_original_formula_sum        'Cl4 K2 Zn1'
_cod_database_code               2310327
Displacive components of the low-temperature phase transitions in lawsonite
Meyer, H.W.; Redfern, S.A.T.; Sondergeld, P.; Marion, S.; Carpenter, M.A.; Knight, K.S.; Dove, M.T.; American Mineralogist 86 (2001) 566–577; doi:

data_1526008
_publ_section_title
;
 Displacive components of the low-temperature phase transitions in
 lawsonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              566
_journal_page_last               577
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Al2 Ca D4 O10 Si2'
_chemical_name_systematic        'Ca Al2 (Si2 O7) (O D)2 (D2 O)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8543
_cell_length_b                   8.79679
_cell_length_c                   13.1387
_cell_volume                     676.631
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Meyer_AMMIAY_2001_890.cif
_cod_data_source_block           D4Al2Ca1O10Si2
_cod_original_cell_volume        676.6306
_cod_original_formula_sum        'D4 Al2 Ca1 O10 Si2'
_cod_database_code               1526008
The crystal structure of delindeite, Ba2 ((Na,K,vac)3 (Tl, Fe) (Ti2(O, O H)4 Si4 O14) (H2 O, O H)2), a member of the mero-plesiotype bafertisite series
Ferraris, G.; Ivaldi, G.; Zubkova, N.V.; Pushcharovskii, D.Yu.; Pekov, I.V.; Canadian Mineralogist 39 (2001) 1307–1316; doi:

data_1526009
_publ_section_title
;
 The crystal structure of delindeite, Ba2 ((Na,K,vac)3 (Tl, Fe) (Ti2(O, O
 H)4 Si4 O14) (H2 O, O H)2), a member of the mero-plesiotype bafertisite
 series
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              1307
_journal_page_last               1316
_journal_volume                  39
_journal_year                    2001
_chemical_formula_sum
'Ba2 Fe0.34 H6.58 K0.2 Na1.4 O19.92 Si4 Ti2.66'
_chemical_name_systematic
;
(Na1.4 K0.2) Ba2 (Ti2.66 Fe0.34) Si4 O14 (O1.26 (O H)2.74) (H2 O)1.92
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.8
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.327
_cell_length_b                   6.856
_cell_length_c                   21.51
_cell_volume                     783.859
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Ferraris_CAMIA6_2001_1025.cif
_cod_data_source_block           H6.58Ba2Fe0.34K0.2Na1.4O19.92Si4Ti2.66
_cod_original_cell_volume        783.8592
_cod_original_sg_symbol_Hall     '-C 2y (z,y,-x)'
_cod_original_formula_sum
'H6.58 Ba2 Fe0.34 K0.2 Na1.4 O19.92 Si4 Ti2.66'
_cod_database_code               1526009
Reactivity of ammonium chloride/mercuric chloride mixtures with Monel containers. The new compounds (N H4)2 (N H3)x (Ni (N H3)2 Cl4) and (N H4)5 Cl2 (Cu Cl2) (Cu Cl4)
Meyer, G.; Nockemann, P.; Journal of Solid State Chemistry 162 (2001) 254–259; doi:

data_1526010
_publ_section_title
;
 Reactivity of ammonium chloride/mercuric chloride mixtures with Monel
 containers. The new compounds (N H4)2 (N H3)x (Ni (N H3)2 Cl4) and (N
 H4)5 Cl2 (Cu Cl2) (Cu Cl4)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              254
_journal_page_last               259
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'Cl4 H18.62 N5.54 Ni'
_chemical_name_systematic        '(N H4)2 (N H3)1.54 (Ni (N H3)2 Cl4)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.709
_cell_length_b                   7.709
_cell_length_c                   7.942
_cell_volume                     471.983
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Meyer_JSSCBI_2001_1727.cif
_cod_data_source_block           H18.62Cl4N5.54Ni1
_cod_original_cell_volume        471.9826
_cod_original_formula_sum        'H18.62 Cl4 N5.54 Ni1'
_cod_database_code               1526010
A structural model of the layer titanosilicate bornemanite based on seidozewrite and lomonosovite modules
Ferraris, G.; Borutskii, B.E.; Belluso, E.; Gula, A.; Ageeva, O.A.; Soboleva, S.V.; Canadian Mineralogist 39 (2001) 1665–1673; doi:

data_1526011
_publ_section_title
;
 A structural model of the layer titanosilicate bornemanite based on
 seidozewrite and lomonosovite modules
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              1665
_journal_page_last               1673
_journal_volume                  39
_journal_year                    2001
_chemical_formula_sum
'Ba F0.9 H0.9 Mn0.5 Na5.5 Nb0.7 O21.1 P Si4 Ti2.3'
_chemical_name_systematic
;
(Ba Na2.5 Mn0.5) (Na3 Ti) (Ti1.3 Nb0.7) O2 (Si4 O14) (P O4) (O0.2 (O H)0.9 
F0.9)
;
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2b'
_symmetry_space_group_name_H-M   'I 1 1 b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                88.4
_cell_formula_units_Z            4
_cell_length_a                   5.498
_cell_length_b                   7.12
_cell_length_c                   47.95
_cell_volume                     1876.307
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Ferraris_CAMIA6_2001_1027.cif
_cod_data_source_block           H0.9Ba1F0.9Mn0.5Na5.5Nb0.7O21.1P1Si4Ti2.3
_cod_original_sg_symbol_Hall     'C -2yc (-x,x+z,y)'
_cod_original_formula_sum
'H0.9 Ba1 F0.9 Mn0.5 Na5.5 Nb0.7 O21.1 P1 Si4 Ti2.3'
_cod_database_code               1526011
Reactivity of ammonium chloride/mercuric chloride mixtures with Monel containers. The new compounds (N H4)2 (N H3)x (Ni (N H3)2 Cl4) and (N H4)5 Cl2 (Cu Cl2) (Cu Cl4)
Meyer, G.; Nockemann, P.; Journal of Solid State Chemistry 162 (2001) 254–259; doi:

data_1526012
_publ_section_title
;
 Reactivity of ammonium chloride/mercuric chloride mixtures with Monel
 containers. The new compounds (N H4)2 (N H3)x (Ni (N H3)2 Cl4) and (N
 H4)5 Cl2 (Cu Cl2) (Cu Cl4)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              254
_journal_page_last               259
_journal_volume                  162
_journal_year                    2001
_chemical_formula_sum            'Cl8 Cu2 H20 N5'
_chemical_name_systematic        '(N H4)5 (Cu Cl2) Cl2 (Cu Cl4)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.748
_cell_length_b                   8.748
_cell_length_c                   23.292
_cell_volume                     1782.479
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Meyer_JSSCBI_2001_1728.cif
_cod_data_source_block           H20Cl8Cu2N5
_cod_original_formula_sum        'H20 Cl8 Cu2 N5'
_cod_database_code               1526012
Crystal structure of strontian hilgardite
Ferro, O.; Pekov, I.V.; Pushcharovskii, D.Yu.; Lovskaya, E.V.; Teat, S.; Vinogradova, S.A.; Kristallografiya 45 (2000) 452–457; doi:

data_1526013
_publ_section_title
;
 Crystal structure of strontian hilgardite
;
_journal_name_full               Kristallografiya
_journal_page_first              452
_journal_page_last               457
_journal_volume                  45
_journal_year                    2000
_chemical_formula_sum            'B5 Ca Cl H2 O10 Sr'
_chemical_name_systematic        'Ca Sr (B5 O9) Cl (H2 O)'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                60.995
_cell_angle_beta                 61.257
_cell_angle_gamma                77.191
_cell_formula_units_Z            1
_cell_length_a                   6.5732
_cell_length_b                   6.4445
_cell_length_c                   6.3693
_cell_volume                     206.872
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Ferro_KRISAJ_2000_173.cif
_cod_data_source_block           H2B5Ca1Cl1O10Sr1
_cod_original_cell_volume        206.8716
_cod_original_formula_sum        'H2 B5 Ca1 Cl1 O10 Sr1'
_cod_database_code               1526013
Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N Nd4)(9+)-Tetraeder
Meyer, M.; Lissner, F.; Schleid, T.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 1205–1210; doi:

data_1526014
_publ_section_title
;
 Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten
 Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N
 Nd4)(9+)-Tetraeder
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1205
_journal_page_last               1210
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Cl6 N Nd3'
_chemical_name_systematic        '(Nd3 N) Cl6'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.4971
_cell_length_b                   11.0683
_cell_length_c                   16.211
_cell_volume                     1883.476
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Meyer_ZAACAB_2000_736.cif
_cod_data_source_block           Cl6N1Nd3
_cod_original_formula_sum        'Cl6 N1 Nd3'
_cod_database_code               1526014
Crystal structure of hydroxonium salt of mixed cerium(III) - cerium(IV) sulfate hydrate
Filipenko, O.S.; Shilov, G.V.; Atovmyan, L.O.; Ponomarev, V.I.; Leonova, L.S.; Doklady Akad. Nauk 380 (2001) 208–212; doi:

data_1526015
_publ_section_title
;
 Crystal structure of hydroxonium salt of mixed cerium(III) - cerium(IV)
 sulfate hydrate
;
_journal_name_full               'Doklady Akad. Nauk'
_journal_page_first              208
_journal_page_last               212
_journal_volume                  380
_journal_year                    2001
_chemical_formula_sum            'Ce0.968 H10.432 O12.924 S2'
_chemical_name_systematic
;
(H3 O)0.444 Ce0.888 (Ce0.08 (H3 O)0.14) (S O4)2 (H2 O)4.34
;
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   11.049
_cell_length_b                   11.049
_cell_length_c                   25.219
_cell_volume                     2666.272
_citation_journal_id_ASTM        DAKNEQ
_cod_data_source_file            Filipenko_DAKNEQ_2001_1040.cif
_cod_data_source_block           H10.432Ce0.968O12.924S2
_cod_original_formula_sum        'H10.432 Ce0.968 O12.924 S2'
_cod_database_code               1526015
Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N Nd4)(9+)-Tetraeder
Meyer, M.; Schleid, T.; Lissner, F.; Zeitschrift fuer Anorganische und Allgemeine Chemie 626 (2000) 1205–1210; doi:

data_1526016
_publ_section_title
;
 Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten
 Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N
 Nd4)(9+)-Tetraeder
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1205
_journal_page_last               1210
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Cl3 N Nd4 S3'
_chemical_name_systematic        '(Nd4 N) S3 Cl3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.2278
_cell_length_b                   9.2278
_cell_length_c                   6.8306
_cell_volume                     503.716
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Meyer_ZAACAB_2000_737.cif
_cod_data_source_block           Cl3N1Nd4S3
_cod_original_cell_volume        503.7161
_cod_original_formula_sum        'Cl3 N1 Nd4 S3'
_cod_database_code               1526016
Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution
Finch, R.J.; Hanchar, J.M.; Hoskin, P.W.O.; Burns, P.C.; American Mineralogist 86 (2001) 681–689; doi:

data_1526017
_publ_section_title
;
 Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray
 study of xenotime substitution
;
_journal_name_full               'American Mineralogist'
_journal_page_first              681
_journal_page_last               689
_journal_volume                  86
_journal_year                    2001
_chemical_formula_sum            'Dy0.015 O4 Si1.016 Zr0.985'
_chemical_name_systematic        '(Zr0.985 Dy0.015) Si1.016 O4'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6175
_cell_length_b                   6.6175
_cell_length_c                   5.989
_cell_volume                     262.266
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Finch_AMMIAY_2001_895.cif
_cod_data_source_block           Dy0.015O4Si1.016Zr0.985
_cod_original_cell_volume        262.2661
_cod_database_code               1526017
Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2 (x=0.61) composite crystal
Michiue, Y.; Onoda, M.; Watanabe, M.; Brown, F.; Kimizuka, N.; Acta Crystallographica B (39,1983-) 57 (2001) 458–465; doi:

data_2106195
_publ_section_title
;
 Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2
 (x=0.61) composite crystal
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              458
_journal_page_last               465
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'Fe0.23 In O2 Ti0.73'
_chemical_name_systematic        'In (Fe0.23 Ti0.73) O2'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2c'
_symmetry_space_group_name_H-M   'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.835
_cell_length_b                   3.349
_cell_length_c                   12.082
_cell_volume                     236.099
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Michiue_ASBSDK_2001_912.cif
_cod_data_source_block           Fe0.23In1O2Ti0.73
_cod_original_cell_volume        236.0994
_cod_original_sg_symbol_Hall     '-C 2c 2 (y,-x,z)'
_cod_original_formula_sum        'Fe0.23 In1 O2 Ti0.73'
_cod_database_code               2106195