LMucko/crystallography-open-database huggingface dataset:
Square nets of tellurium: rare-earth dependent variation in the charge-density wave of RETe3 (RE = rare-earth element)
Malliakas, C.; Kim, H.-J.; Billinge, S.J.L.; Kanatzidis, M.G.; Journal of the American Chemical Society 127 (2005) 6510–6511; doi:

data_4124103
_publ_section_title
;
 Square nets of tellurium: rare-earth dependent variation in the
 charge-density wave of RETe3 (RE = rare-earth element)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6510
_journal_page_last               6511
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'Nd Te3'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'C -2c 2'
_symmetry_space_group_name_H-M   'C 2 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.3469
_cell_length_b                   25.851
_cell_length_c                   4.3629
_cell_volume                     490.267
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Malliakas_JACSAT_2005_566.cif
_cod_data_source_block           Nd1Te3
_cod_original_cell_volume        490.2665
_cod_original_sg_symbol_Hall     'A 2 -2a (z,y,-x)'
_cod_original_formula_sum        'Nd1 Te3'
_cod_database_code               4124103
Coexistence and coupling of two distinct charge density waves in Sm2 Te5
Malliakas, C.D.; Iavarone, M.; Fedor, J.; Kanatzidis, M.G.; Journal of the American Chemical Society 130 (2008) 3310–3312; doi:

data_4124104
_publ_section_title
;
 Coexistence and coupling of two distinct charge density waves in Sm2 Te5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3310
_journal_page_last               3312
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'Sm2 Te4.9'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.679
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.3392
_cell_length_b                   4.3483
_cell_length_c                   21.8438
_cell_volume                     410.129
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Malliakas_JACSAT_2008_1470.cif
_cod_data_source_block           Sm2Te4.9
_cod_original_cell_volume        410.1291
_cod_database_code               4124104
Polymorphism in cesium thiocyanate
Manolatos, S.; Tillinger, M.; Post, B.; Journal of Solid State Chemistry 7 (1973) 31–35; doi:

data_1528715
_publ_section_title
;
 Polymorphism in cesium thiocyanate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              31
_journal_page_last               35
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'C Cs N S'
_chemical_name_systematic        'Cs (S C N)'
_space_group_IT_number           62
_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                   7.978
_cell_length_b                   6.332
_cell_length_c                   8.332
_cell_volume                     420.905
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Manolatos_JSSCBI_1973_1983.cif
_cod_data_source_block           C1Cs1N1S1
_cod_original_cell_volume        420.9051
_cod_original_formula_sum        'C1 Cs1 N1 S1'
_cod_database_code               1528715
The Structure of Ho D3
Mansmann, M.; Wallace, W.E.; Journal de Physique (Paris) 25 (1964) 454–459; doi:

data_1528716
_publ_section_title
;
 The Structure of Ho D3
;
_journal_name_full               'Journal de Physique (Paris)'
_journal_page_first              454
_journal_page_last               459
_journal_volume                  25
_journal_year                    1964
_chemical_formula_sum            'D3 Ho'
_chemical_name_systematic        'Ho D3'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.308
_cell_length_b                   6.308
_cell_length_c                   6.56
_cell_volume                     226.057
_citation_journal_id_ASTM        JOPQAG
_cod_data_source_file            Mansmann_JOPQAG_1964_341.cif
_cod_data_source_block           D3Ho1
_cod_original_cell_volume        226.0569
_cod_original_formula_sum        'D3 Ho1'
_cod_database_code               1528716
An experimental (120 K) and theoretical electron-density study of KMnO~4~ and KClO~4~
Marabello, D.; Bianchi, R.; Cargnoni, F.; Gervasio, G.; Acta Crystallographica Section A 60 (2004) 494–501; doi:10.1107/S0108767304015260

data_2310631
_publ_section_title
;
 An experimental (120 K) and theoretical electron-density study of KMnO~4~
 and KClO~4~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              494
_journal_page_last               501
_journal_paper_doi               10.1107/S0108767304015260
_journal_volume                  60
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K Mn O4'
_chemical_name_mineral           Bahariyaite
_space_group_IT_number           62
_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                   9.0509
_cell_length_b                   5.6381
_cell_length_c                   7.3582
_cell_volume                     375.488
_citation_journal_id_ASTM        ACACEQ
_database_code_amcsd             0020919
_exptl_crystal_density_diffrn    2.796
_cod_data_source_file            Marabello_ACACEQ_2004_420.cif
_cod_data_source_block           K1Mn1O4
_cod_original_cell_volume        375.4881
_cod_original_formula_sum        'K1 Mn1 O4'
_cod_database_code               2310631
Preparation et structure cristallographique du compose Na3 U O4
Marcon, J.P.; de Franco, M.; Revue Internationale des Hautes Temperatures et des Refractaires 9 (1972) 193–196; doi:

data_1528717
_publ_section_title
;
 Preparation et structure cristallographique du compose Na3 U O4
;
_journal_name_full
;
Revue Internationale des Hautes Temperatures et des Refractaires
;
_journal_page_first              193
_journal_page_last               196
_journal_volume                  9
_journal_year                    1972
_chemical_formula_sum            'Na3 O4 U'
_chemical_name_systematic        'Na3 (U O4)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.56
_cell_length_b                   9.56
_cell_length_c                   9.56
_cell_volume                     873.723
_citation_journal_id_ASTM        RIHTAV
_cod_data_source_file            Marcon_RIHTAV_1972_108.cif
_cod_data_source_block           Na3O4U1
_cod_original_formula_sum        'Na3 O4 U1'
_cod_database_code               1528717
Structural aspects of the metal-insulator transition in V4 O7
Marezio, M.; McWhan, D.B.; Dernier, P.D.; Remeika, J.P.; Journal of Solid State Chemistry 6 (1973) 419–429; doi:

data_1528718
_publ_section_title
;
 Structural aspects of the metal-insulator transition in V4 O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              419
_journal_page_last               429
_journal_volume                  6
_journal_year                    1973
_chemical_formula_sum            'O7 V4'
_chemical_name_systematic        'V4 O7'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)'
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                94.86
_cell_angle_beta                 95.14
_cell_angle_gamma                109.3
_cell_formula_units_Z            4
_cell_length_a                   5.514
_cell_length_b                   7.004
_cell_length_c                   12.26
_cell_volume                     441.771
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Marezio_JSSCBI_1973_1995.cif
_cod_data_source_block           O7V4
_cod_original_cell_volume        441.7713
_cod_original_sg_symbol_H-M      'P -1 (-a,-b+c,b+c)'
_cod_database_code               1528718
Structural aspect of the metal-insulator transition in Ti4 O7
Marezio, M.; McWhan, D.B.; Dernier, P.D.; Remeika, J.P.; Journal of Solid State Chemistry 6 (1973) 213–221; doi:

data_1528719
_publ_section_title
;
 Structural aspect of the metal-insulator transition in Ti4 O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              213
_journal_page_last               221
_journal_volume                  6
_journal_year                    1973
_chemical_formula_sum            'O7 Ti4'
_chemical_name_systematic        'Ti4 O7'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)'
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                95.03
_cell_angle_beta                 95.34
_cell_angle_gamma                108.89
_cell_formula_units_Z            4
_cell_length_a                   5.59
_cell_length_b                   7.128
_cell_length_c                   12.483
_cell_volume                     464.882
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Marezio_JSSCBI_1973_1997.cif
_cod_data_source_block           O7Ti4
_cod_original_cell_volume        464.8822
_cod_original_sg_symbol_H-M      'P -1 (-a,-b+c,b+c)'
_cod_database_code               1528719
Cooperative Jahn-Teller distortion, phase transitions, and weak ferromagnetism in the K Cr F3 perovskite
Margadonna, S.; Karotsis, G.; Journal of the American Chemical Society 128 (2006) 16435–16437; doi:

data_4124105
_publ_section_title
;
 Cooperative Jahn-Teller distortion, phase transitions, and weak
 ferromagnetism in the K Cr F3 perovskite
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16435
_journal_page_last               16437
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'Cr F3 K'
_chemical_name_systematic        'K Cr F3'
_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                   6.0523
_cell_length_b                   6.0523
_cell_length_c                   8.02196
_cell_volume                     293.847
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Margadonna_JACSAT_2006_1184.cif
_cod_data_source_block           Cr1F3K1
_cod_original_cell_volume        293.8471
_cod_original_formula_sum        'Cr1 F3 K1'
_cod_database_code               4124105
Cooperative Jahn-Teller distortion, phase transitions, and weak ferromagnetism in the K Cr F3 perovskite
Margadonna, S.; Karotsis, G.; Journal of the American Chemical Society 128 (2006) 16435–16437; doi:

data_4124106
_publ_section_title
;
 Cooperative Jahn-Teller distortion, phase transitions, and weak
 ferromagnetism in the K Cr F3 perovskite
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16435
_journal_page_last               16437
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'Cr F3 K'
_chemical_name_systematic        'K Cr F3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2'
_symmetry_space_group_name_H-M   'I 1 1 2/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                93.686
_cell_formula_units_Z            4
_cell_length_a                   5.82642
_cell_length_b                   5.83517
_cell_length_c                   8.57547
_cell_volume                     290.947
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Margadonna_JACSAT_2006_1185.cif
_cod_data_source_block           Cr1F3K1
_cod_original_sg_symbol_Hall     '-C 2y (-x+z,x,y)'
_cod_original_formula_sum        'Cr1 F3 K1'
_cod_database_code               4124106
The crystal structure of Cu4 Bi5 S10 and its relation to the structures of hodrushite and cuprobismutite
Mariolacos, K.; Kupcik, V.; Ohmasa, M.; Miehe, G.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 703–708; doi:

data_2106555
_publ_section_title
;
 The crystal structure of Cu4 Bi5 S10 and its relation to the structures
 of hodrushite and cuprobismutite
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              703
_journal_page_last               708
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Bi5 Cu4 S10'
_chemical_name_systematic        'Cu4 Bi5 S10'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.539
_cell_length_b                   3.931
_cell_length_c                   12.847
_cell_volume                     842.395
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Mariolacos_ACBCAR_1975_1936.cif
_cod_data_source_block           Bi5Cu4S10
_cod_original_cell_volume        842.3953
_cod_database_code               2106555
Die Kristallstruktur von Pb Te O3
Mariolacos, K.; Anzeiger der Oesterreichischen Akademie der Wissenschaften, Mathematisch-Naturwissenschaftliche Klasse 106 (1969) 129–131; doi:

data_1528720
_publ_section_title
;
 Die Kristallstruktur von Pb Te O3
;
_journal_name_full
;
Anzeiger der Oesterreichischen Akademie der Wissenschaften, 
Mathematisch-Naturwissenschaftliche Klasse
;
_journal_page_first              129
_journal_page_last               131
_journal_volume                  106
_journal_year                    1969
_chemical_formula_sum            'O3 Pb Te'
_chemical_name_systematic        'Pb Te O3'
_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                 106
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   26.73
_cell_length_b                   4.6
_cell_length_c                   18.06
_cell_volume                     2134.598
_citation_journal_id_ASTM        OSAWA8
_cod_data_source_file            Mariolacos_OSAWA8_1969_403.cif
_cod_data_source_block           O3Pb1Te1
_cod_original_formula_sum        'O3 Pb1 Te1'
_cod_database_code               1528720
The crystal structure of Hf18 O10 (O H)26 (S O4)13 (H2 O)33
Mark, W.; Hansson, M.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 1101–1108; doi:

data_2106556
_publ_section_title
;
 The crystal structure of Hf18 O10 (O H)26 (S O4)13 (H2 O)33
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1101
_journal_page_last               1108
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'H92 Hf18 O121 S13'
_chemical_name_systematic        'Hf18 O10 (O H)26 (S O4)13 (H2 O)33'
_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            6
_cell_length_a                   34.09
_cell_length_b                   34.09
_cell_length_c                   17.664
_cell_volume                     17777.623
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Mark_ACBCAR_1975_1953.cif
_cod_data_source_block           H92Hf18O121S13
_cod_original_cell_volume        17777.62
_cod_database_code               2106556
Structural studies on W(6+) and Nd(3+) substituted La2 Mo2 O9 materials
Marrero-Lopez, D.; Canales-Vazquez, J.; Irvine, J.T.S.; Zhou Wuzong; Nunez, P.; Journal of Solid State Chemistry 179 (2006) 278–288; doi:

data_1528721
_publ_section_title
;
 Structural studies on W(6+) and Nd(3+) substituted La2 Mo2 O9 materials
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              278
_journal_page_last               288
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'La2 Mo0.5 O9 W1.5'
_chemical_name_systematic        'La2 Mo0.5 W1.5 O9'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.13952
_cell_length_b                   7.13952
_cell_length_c                   7.13952
_cell_volume                     363.921
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Marrero-Lopez_JSSCBI_2006_1113.cif
_cod_data_source_block           La2Mo0.5O9W1.5
_cod_database_code               1528721
Ueber Oxoplumbate: Cs4 (Pb O4), ein Nesoplumbat
Martens, K.P.; Hoppe, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 471 (1980) 64–76; doi:

data_1528722
_publ_section_title
;
 Ueber Oxoplumbate: Cs4 (Pb O4), ein Nesoplumbat
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              64
_journal_page_last               76
_journal_volume                  471
_journal_year                    1980
_chemical_formula_sum            'Cs4 O4 Pb'
_chemical_name_systematic        'Cs4 (Pb 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                 112.67
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.224
_cell_length_b                   20.04099
_cell_length_c                   7.178
_cell_volume                     958.914
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Martens_ZAACAB_1980_13.cif
_cod_data_source_block           Cs4O4Pb1
_cod_original_cell_volume        958.9142
_cod_original_formula_sum        'Cs4 O4 Pb1'
_cod_database_code               1528722
Ueber die Kristallstruktur von M - Nb2 O5
Martin, W.; Gruehn, R.; Andersson, S.; Journal of Solid State Chemistry 1 (1970) 419–424; doi:

data_1528723
_publ_section_title
;
 Ueber die Kristallstruktur von M - Nb2 O5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              419
_journal_page_last               424
_journal_volume                  1
_journal_year                    1970
_chemical_formula_sum            'Nb2 O5'
_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            16
_cell_length_a                   20.44
_cell_length_b                   20.44
_cell_length_c                   3.832
_cell_volume                     1600.985
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Martin_JSSCBI_1970_452.cif
_cod_data_source_block           Nb2O5
_cod_database_code               1528723
Preparation, structural and magnetic characterization of Dy Cr Mn O3
Martinez-Lope, M.J.; Alonso, J.A.; Retuerto, M.; Garcia-Hernandez, M.; Journal of Solid State Chemistry 182 (2009) 532–537; doi:

data_1528724
_publ_section_title
;
 Preparation, structural and magnetic characterization of Dy Cr Mn O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              532
_journal_page_last               537
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Cr0.94 Dy Mn1.06 O5'
_chemical_name_systematic        'Dy (Cr0.94 Mn1.06) O5'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2617
_cell_length_b                   8.5161
_cell_length_c                   5.7126
_cell_volume                     353.275
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Martinez-Lope_JSSCBI_2009_1689.cif
_cod_data_source_block           Cr0.94Dy1Mn1.06O5
_cod_original_formula_sum        'Cr0.94 Dy1 Mn1.06 O5'
_cod_database_code               1528724
Synthesis and characterization of the oxynitride Y2 Mo2 O4.5 N2.5 pyrochlore: a neutron diffraction and magnetic study
Martinez-Lope, M.J.; Casais, M.T.; Alonso, J.A.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 61 (2006) 164–169; doi:

data_7221494
_publ_section_title
;
 Synthesis and characterization of the oxynitride Y2 Mo2 O4.5 N2.5
 pyrochlore: a neutron diffraction and magnetic study
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              164
_journal_page_last               169
_journal_volume                  61
_journal_year                    2006
_chemical_formula_sum            'Mo2 N2.5 O4.5 Y2'
_chemical_name_systematic        'Y2 Mo2 O4.5 N2.5'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.335
_cell_length_b                   10.335
_cell_length_c                   10.335
_cell_volume                     1103.904
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Martinez-Lope_ZNBSEN_2006_963.cif
_cod_data_source_block           Mo2N2.5O4.5Y2
_cod_database_code               7221494