LMucko/crystallography-open-database huggingface dataset:
A familly of intermetallic phases having the Si2 Mo-type structure
Nevitt, M.V.; Downey, J.W.; Transactions of the Metallurgical Society of Aime 224 (1962) 195–196; doi:

data_1522586
_publ_section_title
;
 A familly of intermetallic phases having the Si2 Mo-type structure
;
_journal_name_full
'Transactions of the Metallurgical Society of Aime'
_journal_page_first              195
_journal_page_last               196
_journal_volume                  224
_journal_year                    1962
_chemical_formula_sum            'Hf2 Pd'
_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                   3.251
_cell_length_b                   3.251
_cell_length_c                   11.061
_cell_volume                     116.904
_citation_journal_id_ASTM        TMSAAB
_cod_data_source_file            Nevitt_TMSAAB_1962_579.cif
_cod_data_source_block           Hf2Pd1
_cod_original_cell_volume        116.9037
_cod_original_formula_sum        'Hf2 Pd1'
_cod_database_code               1522586
Crystal structure of and electron spin resonance of Mn2+ in Mg V2 O6
Ng, H.N.; Calvo, C.; Canadian Journal of Chemistry 50 (1972) 3619–3624; doi:

data_1522587
_publ_section_title
;
 Crystal structure of and electron spin resonance of Mn2+ in Mg V2 O6
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              3619
_journal_page_last               3624
_journal_volume                  50
_journal_year                    1972
_chemical_formula_sum            'Mg O6 V2'
_chemical_name_systematic        'Mg V2 O6'
_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                 111.77
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.279
_cell_length_b                   3.502
_cell_length_c                   6.731
_cell_volume                     203.125
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Ng_CJCHAG_1972_305.cif
_cod_data_source_block           Mg1O6V2
_cod_original_cell_volume        203.1249
_cod_original_formula_sum        'Mg1 O6 V2'
_cod_database_code               1522587
Magnetic susceptibility of Pr P, Pr S, Nd P, Nd S, and U1-x Pr(Nd)x P in the paramagnetic region
Niedzielski, R.; Troc, R.; Schubert, K.; Physica Status Solidi, Sectio B: Basic Research 123 (1984) 29–34; doi:

data_1522588
_publ_section_title
;
 Magnetic susceptibility of Pr P, Pr S, Nd P, Nd S, and U1-x Pr(Nd)x P in
 the paramagnetic region
;
_journal_name_full
'Physica Status Solidi, Sectio B: Basic Research'
_journal_page_first              29
_journal_page_last               34
_journal_volume                  123
_journal_year                    1984
_chemical_formula_sum            'P Pr0.68 U0.32'
_chemical_name_systematic        '(Pr0.68 U0.32) P'
_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                   5.798
_cell_length_b                   5.798
_cell_length_c                   5.798
_cell_volume                     194.910
_citation_journal_id_ASTM        PSSBBD
_cod_data_source_file            Niedzielski_PSSBBD_1984_1669.cif
_cod_data_source_block           P1Pr0.68U0.32
_cod_original_cell_volume        194.9102
_cod_original_formula_sum        'P1 Pr0.68 U0.32'
_cod_database_code               1522588
The crystal strutures of Na Hg2, Na Hg and Na3 Hg2
Nielson, J.W.; Baenziger, N.C.; Acta Crystallographica (1,1948-23,1967) 7 (1954) 277–282; doi:

data_2310235
_publ_section_title
;
 The crystal strutures of Na Hg2, Na Hg and Na3 Hg2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              277
_journal_page_last               282
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'Hg Na'
_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            8
_cell_length_a                   7.19
_cell_length_b                   10.79
_cell_length_c                   5.21
_cell_volume                     404.192
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Nielson_ACCRA9_1954_643.cif
_cod_data_source_block           Hg1Na1
_cod_original_cell_volume        404.1923
_cod_original_formula_sum        'Hg1 Na1'
_cod_database_code               2310235
The crystal strutures of Na Hg2, Na Hg and Na3 Hg2
Nielson, J.W.; Baenziger, N.C.; Acta Crystallographica (1,1948-23,1967) 7 (1954) 277–282; doi:

data_2310236
_publ_section_title
;
 The crystal strutures of Na Hg2, Na Hg and Na3 Hg2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              277
_journal_page_last               282
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'Hg2 Na'
_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                   5.029
_cell_length_b                   5.029
_cell_length_c                   3.2304
_cell_volume                     70.754
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Nielson_ACCRA9_1954_644.cif
_cod_data_source_block           Hg2Na1
_cod_original_cell_volume        70.75387
_cod_original_formula_sum        'Hg2 Na1'
_cod_database_code               2310236
The crystal strutures of Na Hg2, Na Hg and Na3 Hg2
Nielson, J.W.; Baenziger, N.C.; Acta Crystallographica (1,1948-23,1967) 7 (1954) 277–282; doi:

data_2310237
_publ_section_title
;
 The crystal strutures of Na Hg2, Na Hg and Na3 Hg2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              277
_journal_page_last               282
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'Hg4 Na6'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.52
_cell_length_b                   8.52
_cell_length_c                   7.8
_cell_volume                     566.205
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Nielson_ACCRA9_1954_645.cif
_cod_data_source_block           Hg2Na3
_cod_depositor_comments
;

2023-05-16
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'Hg2 Na3'
_cod_original_formula_units_Z            4
_cod_original_cell_volume        566.2052
_cod_database_code               2310237
Ternary aluminides A6 T4 Al43 with A= Y, Nd, Sm, Gd-Lu, Th, U and T= Cr, Mo, W
Niemann, S.; Jeitschko, W.; Zeitschrift fuer Metallkunde 85 (1994) 345–349; doi:

data_1522589
_publ_section_title
;
 Ternary aluminides A6 T4 Al43 with A= Y, Nd, Sm, Gd-Lu, Th, U and T= Cr,
 Mo, W
;
_journal_name_full               'Zeitschrift fuer Metallkunde'
_journal_page_first              345
_journal_page_last               349
_journal_volume                  85
_journal_year                    1994
_chemical_formula_sum            'Al42.9 Ho6 Mo4.1'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.968
_cell_length_b                   10.968
_cell_length_c                   17.666
_cell_volume                     1840.449
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            Niemann_ZEMTAE_1994_1334.cif
_cod_data_source_block           Al42.9Ho6Mo4.1
_cod_database_code               1522589
X-ray analysis of Tc-Mo alloys
Niemiec, J.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 11 (1963) 305–309; doi:

data_1522590
_publ_section_title
;
 X-ray analysis of Tc-Mo alloys
;
_journal_name_full
;
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques
;
_journal_page_first              305
_journal_page_last               309
_journal_volume                  11
_journal_year                    1963
_chemical_formula_sum            'Mo Tc'
_chemical_name_systematic        '(Mo Tc)'
_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                   3.109
_cell_length_b                   3.109
_cell_length_c                   3.109
_cell_volume                     30.051
_citation_journal_id_ASTM        BAPCAQ
_cod_data_source_file            Niemiec_BAPCAQ_1963_1286.cif
_cod_data_source_block           Mo1Tc1
_cod_original_cell_volume        30.05122
_cod_original_formula_sum        'Mo1 Tc1'
_cod_database_code               1522590
X-ray analysis of technetium alloys with Rh, Pd and Pt
Niemiec, J.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 11 (1963) 665–669; doi:

data_1522591
_publ_section_title
;
 X-ray analysis of technetium alloys with Rh, Pd and Pt
;
_journal_name_full
;
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques
;
_journal_page_first              665
_journal_page_last               669
_journal_volume                  11
_journal_year                    1963
_chemical_formula_sum            'Pd0.47 Tc0.53'
_chemical_name_systematic        '(Pd0.47 Tc0.53)'
_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                   2.749
_cell_length_b                   2.749
_cell_length_c                   4.389
_cell_volume                     28.724
_citation_journal_id_ASTM        BAPCAQ
_cod_data_source_file            Niemiec_BAPCAQ_1963_1775.cif
_cod_data_source_block           Pd0.47Tc0.53
_cod_original_cell_volume        28.72405
_cod_database_code               1522591
X-ray analysis of technetium alloys with Rh, Pd and Pt
Niemiec, J.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 11 (1963) 665–669; doi:

data_1522592
_publ_section_title
;
 X-ray analysis of technetium alloys with Rh, Pd and Pt
;
_journal_name_full
;
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques
;
_journal_page_first              665
_journal_page_last               669
_journal_volume                  11
_journal_year                    1963
_chemical_formula_sum            'Pd0.25 Tc0.75'
_chemical_name_systematic        '(Pd0.25 Tc0.75)'
_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                   3.874
_cell_length_b                   3.874
_cell_length_c                   3.874
_cell_volume                     58.141
_citation_journal_id_ASTM        BAPCAQ
_cod_data_source_file            Niemiec_BAPCAQ_1963_1776.cif
_cod_data_source_block           Pd0.25Tc0.75
_cod_original_cell_volume        58.14051
_cod_database_code               1522592
X-ray analysis of technetium alloys with Rh, Pd and Pt
Niemiec, J.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 11 (1963) 665–669; doi:

data_1522593
_publ_section_title
;
 X-ray analysis of technetium alloys with Rh, Pd and Pt
;
_journal_name_full
;
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques
;
_journal_page_first              665
_journal_page_last               669
_journal_volume                  11
_journal_year                    1963
_chemical_formula_sum            'Pt0.246 Tc0.754'
_chemical_name_systematic        '(Pt0.246 Tc0.754)'
_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                   2.746
_cell_length_b                   2.746
_cell_length_c                   4.381
_cell_volume                     28.609
_citation_journal_id_ASTM        BAPCAQ
_cod_data_source_file            Niemiec_BAPCAQ_1963_1855.cif
_cod_data_source_block           Pt0.246Tc0.754
_cod_original_cell_volume        28.60915
_cod_database_code               1522593
X-ray analysis of technetium alloys with Rh, Pd and Pt
Niemiec, J.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 11 (1963) 665–669; doi:

data_1522594
_publ_section_title
;
 X-ray analysis of technetium alloys with Rh, Pd and Pt
;
_journal_name_full
;
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques
;
_journal_page_first              665
_journal_page_last               669
_journal_volume                  11
_journal_year                    1963
_chemical_formula_sum            'Pt0.38 Tc0.62'
_chemical_name_systematic        '(Pt0.38 Tc0.62)'
_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                   3.89
_cell_length_b                   3.89
_cell_length_c                   3.89
_cell_volume                     58.864
_citation_journal_id_ASTM        BAPCAQ
_cod_data_source_file            Niemiec_BAPCAQ_1963_1856.cif
_cod_data_source_block           Pt0.38Tc0.62
_cod_original_cell_volume        58.86387
_cod_database_code               1522594
X-ray analysis of technetium alloys with rhodium, palladium and platinum
Niemiec, J.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 11 (1963) 665–669; doi:

data_1522595
_publ_section_title
;
 X-ray analysis of technetium alloys with rhodium, palladium and platinum
;
_journal_name_full
;
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques
;
_journal_page_first              665
_journal_page_last               669
_journal_volume                  11
_journal_year                    1963
_chemical_formula_sum            'Rh Tc'
_chemical_name_systematic        '(Rh Tc)'
_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            1
_cell_length_a                   2.721
_cell_length_b                   2.721
_cell_length_c                   4.336
_cell_volume                     27.802
_citation_journal_id_ASTM        BAPCAQ
_cod_data_source_file            Niemiec_BAPCAQ_1963_1964.cif
_cod_data_source_block           Rh1Tc1
_cod_original_cell_volume        27.80206
_cod_original_formula_sum        'Rh1 Tc1'
_cod_database_code               1522595
X-ray analysis of technetium alloys with rhodium, palladium and platinum
Niemiec, J.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 11 (1963) 665–669; doi:

data_1522596
_publ_section_title
;
 X-ray analysis of technetium alloys with rhodium, palladium and platinum
;
_journal_name_full
;
Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques
;
_journal_page_first              665
_journal_page_last               669
_journal_volume                  11
_journal_year                    1963
_chemical_formula_sum            'Rh0.955 Tc0.045'
_chemical_name_systematic        '(Rh0.955 Tc0.045)'
_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                   3.806
_cell_length_b                   3.806
_cell_length_c                   3.806
_cell_volume                     55.132
_citation_journal_id_ASTM        BAPCAQ
_cod_data_source_file            Niemiec_BAPCAQ_1963_1965.cif
_cod_data_source_block           Rh0.955Tc0.045
_cod_original_cell_volume        55.13233
_cod_database_code               1522596
The prediction and synthesis of some new intermetallic compounds between transition metals and rare earth metals
Ning Yuantao; Zhu Jianzhong; Zheng Yun; Zhou Xinming; Chen Nianyi; Xu Hua; Xiyou Jinshu 4 (1985) 31–34; doi:

data_1522597
_publ_section_title
;
 The prediction and synthesis of some new intermetallic compounds between
 transition metals and rare earth metals
;
_journal_name_full               'Xiyou Jinshu'
_journal_page_first              31
_journal_page_last               34
_journal_volume                  4
_journal_year                    1985
_chemical_formula_sum            'La Pd5'
_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                   5.3
_cell_length_b                   5.3
_cell_length_c                   4.431
_cell_volume                     107.791
_citation_journal_id_ASTM        XIJID9
_cod_data_source_file            NingYuantao_XIJID9_1985_926.cif
_cod_data_source_block           La1Pd5
_cod_original_cell_volume        107.7914
_cod_original_formula_sum        'La1 Pd5'
_cod_database_code               1522597
Metastable extension of solid solubitity if heavy RE in Ag
Ning, Y.; Zhou, X.; Dai, H.; Chinese Journal of Metal Science and Technology 7 (1991) 391–398; doi:

data_1522598
_publ_section_title
;
 Metastable extension of solid solubitity if heavy RE in Ag
;
_journal_name_full
'Chinese Journal of Metal Science and Technology'
_journal_page_first              391
_journal_page_last               398
_journal_volume                  7
_journal_year                    1991
_chemical_formula_sum            'Ag0.95 Dy0.05'
_chemical_name_systematic        '(Ag0.95 Dy0.05)'
_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                   4.091
_cell_length_b                   4.091
_cell_length_c                   4.091
_cell_volume                     68.468
_citation_journal_id_ASTM        CJMTE4
_cod_data_source_file            Ning_CJMTE4_1991_696.cif
_cod_data_source_block           Ag0.95Dy0.05
_cod_original_cell_volume        68.46813
_cod_database_code               1522598
A study of some alpha Pd-Sc, Pd-Zr and Pd-Gd alloys
Norman, M.; Harris, I.R.; Journal of the Less-Common Metals 18 (1969) 333–345; doi:

data_1522599
_publ_section_title
;
 A study of some alpha Pd-Sc, Pd-Zr and Pd-Gd alloys
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              333
_journal_page_last               345
_journal_volume                  18
_journal_year                    1969
_chemical_formula_sum            'Pd0.845 Zr0.155'
_chemical_name_systematic        '(Pd0.845 Zr0.155 )'
_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                   3.9457
_cell_length_b                   3.9457
_cell_length_c                   3.9457
_cell_volume                     61.429
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Norman_JCOMAH_1969_1816.cif
_cod_data_source_block           Pd0.845Zr0.155
_cod_original_cell_volume        61.42882
_cod_database_code               1522599
The crystal structure of Ni Zn3.r
Nover, G.; Schubert, K.; Journal of the Less-Common Metals 75 (1980) 51–63; doi:

data_1522600
_publ_section_title
;
 The crystal structure of Ni Zn3.r
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              51
_journal_page_last               63
_journal_volume                  75
_journal_year                    1980
_chemical_formula_sum            'Ni Zn3'
_space_group_IT_number           39
_symmetry_space_group_name_Hall  'A 2 -2b'
_symmetry_space_group_name_H-M   'A b m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            69
_cell_length_a                   33.326
_cell_length_b                   12.499
_cell_length_c                   8.869
_cell_volume                     3694.308
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Nover_JCOMAH_1980_1583.cif
_cod_data_source_block           Ni1Zn3
_cod_original_formula_sum        'Ni1 Zn3'
_cod_database_code               1522600
Ternaere Valenzverbindungen vom Flussspattyp
Nowotny, H.; Bachmayer, K.; Monatshefte fuer Chemie (-108,1977) 80 (1949) 734–734; doi:

data_1522601
_publ_section_title
;
 Ternaere Valenzverbindungen vom Flussspattyp
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              734
_journal_page_last               734
_journal_volume                  80
_journal_year                    1949
_chemical_formula_sum            'Li Mg P'
_chemical_name_systematic        '(Li0.5 Mg0.5)2 P'
_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                   6.023
_cell_length_b                   6.023
_cell_length_c                   6.023
_cell_volume                     218.494
_citation_journal_id_ASTM        MOCHAP
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_cod_data_source_block           Li1Mg1P1
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_cod_original_formula_sum        'Li1 Mg1 P1'
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