LMucko/crystallography-open-database huggingface dataset:
Ba3 Ga2 N4
Yamane, H; DiSalvo, F J; Acta Crystallographica C (39,1983-) 52 (1996) 760–761; doi:

data_1005032
_publ_section_title              'Ba3 Ga2 N4'
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              760
_journal_page_last               761
_journal_volume                  52
_journal_year                    1996
_chemical_formula_structural     'Ba3 Ga2 N4'
_chemical_formula_sum            'Ba3 Ga2 N4'
_chemical_name_systematic        'Tribarium digallium nitride'
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2010(12)
_cell_length_b                   10.511(2)
_cell_length_c                   10.070(2)
_cell_volume                     656.3
_refine_ls_R_factor_all          0.029
_cod_database_code               1005032
Crystal structure and magnetic susceptibility of Ce8 Pd24 Sb
Gordon, R A; DiSalvo, F J; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 52–56; doi:

data_1005033
_publ_section_title
;
Crystal structure and magnetic susceptibility of Ce8 Pd24 Sb
;
_journal_coden_ASTM              ZNBSEN
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              52
_journal_page_last               56
_journal_volume                  51
_journal_year                    1996
_chemical_formula_structural     'Ce8 Pd24 Sb'
_chemical_formula_sum            'Ce8 Pd24 Sb'
_chemical_name_systematic        'Cerium palladium antimonide (8/24/1)'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   8.461(1)
_cell_length_b                   8.461(1)
_cell_length_c                   8.461(1)
_cell_volume                     605.7
_refine_ls_R_factor_all          0.022
_cod_database_code               1005033
Structure and properties of Ba6 Ni25 S27
Gelabert, M C; Ho, M H; Malik, A-S; DiSalvo, F J; Deniard, P; Brec, R; Chemistry - A European Journal 3 (1997) 1884–1889; doi:10.1002/chem.19970031121

data_1005034
_publ_section_title              'Structure and properties of Ba6 Ni25 S27'
_journal_coden_ASTM              CEUJED
_journal_issue                   11
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              1884
_journal_page_last               1889
_journal_paper_doi               10.1002/chem.19970031121
_journal_volume                  3
_journal_year                    1997
_chemical_formula_structural     'Ba6 Ni25 S27'
_chemical_formula_sum            'Ba6 Ni25 S27'
_chemical_name_systematic        'Barium nickel sulfide (6/25/27)'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   10.0565(2)
_cell_length_b                   10.0565(2)
_cell_length_c                   10.0565(2)
_cell_volume                     1017.0
_refine_ls_R_factor_all          0.063
_cod_database_code               1005034
Barium niobium nitride azide: Ba9 (NbN4)2 N (N3)
Clarke, S J; DiSalvo, F J; Zeitschrift fuer Kristallographie - New Crystal Structures 212 (1997) 109–310; doi:

data_1005035
_publ_section_title
;
Barium niobium nitride azide: Ba9 (NbN4)2 N (N3)
;
_journal_coden_ASTM              ZKNSFT
_journal_name_full
;
Zeitschrift fuer Kristallographie - New Crystal Structures
;
_journal_page_first              109
_journal_page_last               310
_journal_volume                  212
_journal_year                    1997
_chemical_formula_structural     'Ba9 (Nb N4)2 N (N3)'
_chemical_formula_sum            'Ba9 N12 Nb2'
_chemical_name_systematic
;
Nonabarium tetranitridoniobate nitride azide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.867(7)
_cell_angle_beta                 85.690(12)
_cell_angle_gamma                87.868(13)
_cell_formula_units_Z            2
_cell_length_a                   7.9979(11)
_cell_length_b                   9.6273(12)
_cell_length_c                   12.6441(14)
_cell_volume                     941.3
_refine_ls_R_factor_all          0.045
_cod_database_code               1005035
Magnetic Behaviour of Two AlB2-Related Germanides: CePd0.63Ge1.37 and CeAu0.75Ge1.25
Jones, C D W; Gordon, R A; DiSalvo, F J; Poettgen, R; Kremer, R K; Journal of Alloys Compd. 260 (1997) 50–55; doi:10.1016/S0925-8388(97)00159-X

data_1005036
_publ_section_title
;
Magnetic Behaviour of Two AlB2-Related Germanides: CePd0.63Ge1.37 and
CeAu0.75Ge1.25
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              50
_journal_page_last               55
_journal_paper_doi               10.1016/S0925-8388(97)00159-X
_journal_volume                  260
_journal_year                    1997
_chemical_formula_structural     'Ce (Au0.73 Ge1.27)'
_chemical_formula_sum            'Au0.73 Ce Ge1.27'
_chemical_name_systematic        'Cerium gold germanium (1/0.73/1.27)'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   4.335(1)
_cell_length_b                   4.335(1)
_cell_length_c                   4.226(1)
_cell_volume                     68.8
_refine_ls_R_factor_all          0.0301
_cod_original_formula_sum        'Au.73 Ce Ge1.27'
_cod_database_code               1005036
Substitution in Ce2 T Si3 intermetallic compositions with T = (Cr, Mn, Fe, Co, or Ni)x (Pd or Au)1-x
Gordon, R A; Warren, C J; Alexander, M G; DiSalvo, F J; Poettgen, R; Journal of Alloys Compd. 248 (1997) 24–32; doi:10.1016/S0925-8388(96)02624-2

data_1005037
_publ_section_title
;
Substitution in Ce2 T Si3 intermetallic compositions with T = (Cr, Mn,
Fe, Co, or Ni)x (Pd or Au)1-x
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              24
_journal_page_last               32
_journal_paper_doi               10.1016/S0925-8388(96)02624-2
_journal_volume                  248
_journal_year                    1997
_chemical_formula_structural     'Ce2 Co Si3'
_chemical_formula_sum            'Ce2 Co Si3'
_chemical_name_systematic        'Cerium cobalt silicide (2/1/3)'
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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            2
_cell_length_a                   8.104(2)
_cell_length_b                   8.104(2)
_cell_length_c                   4.197(2)
_cell_volume                     238.7
_refine_ls_R_factor_all          0.027
_cod_database_code               1005037
The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N
DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E; Journal of Alloys Compd. 255 (1997) 122–129; doi:10.1016/S0925-8388(96)02811-3

data_1005038
_publ_section_title
;
The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-)
anions and the single crystal structural determination of Sr Cu N
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              122
_journal_page_last               129
_journal_paper_doi               10.1016/S0925-8388(96)02811-3
_journal_volume                  255
_journal_year                    1997
_chemical_formula_structural     'Sr Cu N'
_chemical_formula_sum            'Cu N Sr'
_chemical_name_systematic        'Strontium copper(I) nitride'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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            12
_cell_length_a                   9.045(2)
_cell_length_b                   13.234(3)
_cell_length_c                   5.388(1)
_cell_volume                     645.0
_refine_ls_R_factor_all          0.046
_cod_database_code               1005038
The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-) anions and the single crystal structural determination of Sr Cu N
DiSalvo, F J; Trail, S S; Yamane, H; Brese, N E; Journal of Alloys Compd. 255 (1997) 122–129; doi:10.1016/S0925-8388(96)02811-3

data_1005039
_publ_section_title
;
The crystal structure of Sr6 Cu3 N5 with isolated, bent (Cu(I)2 N3)(7-)
anions and the single crystal structural determination of Sr Cu N
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              122
_journal_page_last               129
_journal_paper_doi               10.1016/S0925-8388(96)02811-3
_journal_volume                  255
_journal_year                    1997
_chemical_formula_structural     'Sr6 (Cu2 N3) (Cu N2)'
_chemical_formula_sum            'Cu3 N5 Sr6'
_chemical_name_systematic
;
Hexastrontium trinitridodicuprate(I) dinitridocuprate(I)
;
_space_group_IT_number           105
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      105
_symmetry_space_group_name_Hall  'P 4c -2'
_symmetry_space_group_name_H-M   'P 42 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.6570(12)
_cell_length_b                   8.6570(12)
_cell_length_c                   7.334(2)
_cell_volume                     549.6
_refine_ls_R_factor_all          0.038
_cod_database_code               1005039
Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7
Clarke, S J; DiSalvo, F J; Journal of Alloys Compd. 259 (1997) 158–162; doi:10.1016/S0925-8388(97)00095-9

data_1005040
_publ_section_title
;
Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3
Ge2 N2 ; x = 0.7
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              158
_journal_page_last               162
_journal_paper_doi               10.1016/S0925-8388(97)00095-9
_journal_volume                  259
_journal_year                    1997
_chemical_formula_structural     'Ba2 Ge (Ga N)'
_chemical_formula_sum            'Ba2 Ga Ge N'
_chemical_name_systematic        'Dibarium germanide nitridogallate'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.87(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.249(1)
_cell_length_b                   4.210(1)
_cell_length_c                   9.314(1)
_cell_volume                     269.0
_refine_ls_R_factor_all          0.054
_cod_database_code               1005040
Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7
Clarke, S J; DiSalvo, F J; Journal of Alloys Compd. 259 (1997) 158–162; doi:10.1016/S0925-8388(97)00095-9

data_1005041
_publ_section_title
;
Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3
Ge2 N2 ; x = 0.7
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              158
_journal_page_last               162
_journal_paper_doi               10.1016/S0925-8388(97)00095-9
_journal_volume                  259
_journal_year                    1997
_chemical_formula_structural     '(Ba2.35 Sr0.65) Ge (Ge N2)'
_chemical_formula_sum            'Ba2.35 Ge2 N2 Sr0.65'
_chemical_name_systematic
;
Barium strontium germanide dinitridogermanate (2.35/0.65/1/1)
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.06(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.5109(9)
_cell_length_b                   4.0201(3)
_cell_length_c                   10.0412(9)
_cell_volume                     353.2
_refine_ls_R_factor_all          0.029
_cod_original_formula_sum        'Ba2.35 Ge2 N2 Sr.65'
_cod_database_code               1005041
A new conducting ternary nitride : Nax Ta3 N5 (0<x<1.4)
Clarke, S J; DiSalvo, F J; Journal of Solid State Chemistry 132 (1997) 394–398; doi:10.1006/jssc.1997.7481

data_1005042
_publ_section_title
;
A new conducting ternary nitride : Nax Ta3 N5 (0<x<1.4)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              394
_journal_page_last               398
_journal_paper_doi               10.1006/jssc.1997.7481
_journal_volume                  132
_journal_year                    1997
_chemical_formula_structural     'Na (Ta3 N5)'
_chemical_formula_sum            'N5 Na Ta3'
_chemical_name_systematic        'Sodium pentanitridotantalo(IV)ditantalate'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   3.995(1)
_cell_length_b                   10.197(2)
_cell_length_c                   10.331(2)
_cell_volume                     420.9
_refine_ls_R_factor_all          0.012
_cod_database_code               1005042
Structure and properties of La2 Mo2 O7: A quasi-twodimensional metallic oxide with strong Mo-Mo bonds
Moini, A; Subramanian, M A; Clearfield, A; DiSalvo, F J; McCarroll, W H; Journal of Solid State Chemistry 66 (1987) 136–143; doi:10.1016/0022-4596(87)90228-3

data_1005043
_publ_section_title
;
Structure and properties of La2 Mo2 O7: A quasi-twodimensional metallic
oxide with strong Mo-Mo bonds
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              136
_journal_page_last               143
_journal_paper_doi               10.1016/0022-4596(87)90228-3
_journal_volume                  66
_journal_year                    1987
_chemical_formula_structural     'La2 (Mo2 O7)'
_chemical_formula_sum            'La2 Mo2 O7'
_chemical_name_systematic        'Dilanthanum dimolybdate(IV)'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.034(1)
_cell_length_b                   12.236(2)
_cell_length_c                   3.888(1)
_cell_volume                     287.1
_refine_ls_R_factor_all          0.053
_cod_database_code               1005043
Crystal structure, electric and magnetic behaviour of Ce2 Pd9 Sb3
Gordon, R A; DiSalvo, F J; Poettgen, R; Brese, N E; Journal of the Chemical Society. Faraday Transactions 92 (1996) 2167–2171; doi:10.1039/ft9969202167

data_1005044
_publ_section_title
;
Crystal structure, electric and magnetic behaviour of Ce2 Pd9 Sb3
;
_journal_coden_ASTM              JCFTEV
_journal_issue                   12
_journal_name_full
;
Journal of the Chemical Society. Faraday Transactions
;
_journal_page_first              2167
_journal_page_last               2171
_journal_paper_doi               10.1039/ft9969202167
_journal_volume                  92
_journal_year                    1996
_chemical_formula_structural     'Ce2 Pd9 Sb3'
_chemical_formula_sum            'Ce2 Pd9 Sb3'
_chemical_name_systematic        'Dicerium nonapalladium triantimonide'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   13.769(2)
_cell_length_b                   8.0412(8)
_cell_length_c                   9.3482(10)
_cell_volume                     1035.0
_refine_ls_R_factor_all          0.03
_cod_database_code               1005044
Synthesis, structure, and properties of a new ternary metal Ca3 Cr N3
Vennos, D A; Badding, M E; Disalvo, F J; Inorganic Chemistry 29 (1990) 4059–4062; doi:10.1021/ic00345a030

data_1005045
_publ_section_title
;
Synthesis, structure, and properties of a new ternary metal Ca3 Cr N3
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4059
_journal_page_last               4062
_journal_paper_doi               10.1021/ic00345a030
_journal_volume                  29
_journal_year                    1990
_chemical_formula_structural     'Ca3 Cr N3'
_chemical_formula_sum            'Ca3 Cr N3'
_chemical_name_systematic        'Tricalcium chromium trinitride'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   8.503(2)
_cell_length_b                   10.284(2)
_cell_length_c                   5.032(1)
_cell_volume                     440.0
_refine_ls_R_factor_all          0.039
_cod_database_code               1005045
Synthesis and structure of Ta4 Si Te4, a new low-dimensional material
Badding, M E; Disalvo, F J; Inorganic Chemistry 29 (1990) 3952–3954; doi:10.1021/ic00345a009

data_1005046
_publ_section_title
;
Synthesis and structure of Ta4 Si Te4, a new low-dimensional material
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3952
_journal_page_last               3954
_journal_paper_doi               10.1021/ic00345a009
_journal_volume                  29
_journal_year                    1990
_chemical_formula_structural     'Ta4 Si Te4'
_chemical_formula_sum            'Si Ta4 Te4'
_chemical_name_systematic        'Tetratantalum silicon tetratelluride'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   10.536(3)
_cell_length_b                   18.27499(500)
_cell_length_c                   4.799(1)
_cell_volume                     924.0
_refine_ls_R_factor_all          0.061
_cod_database_code               1005046
Synthesis, crystal structure and properties of a lithium manganese nitride, (Li, Mn)2 N
Niewa, R; DiSalvo, F J; Yang, D-K; Zax, D B; Luo, H; Yelon, W B; Journal of Alloys Compd. 266 (1998) 32–38; doi:10.1016/S0925-8388(97)00456-8

data_1005047
_publ_section_title
;
Synthesis, crystal structure and properties of a lithium manganese
nitride, (Li, Mn)2 N
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              32
_journal_page_last               38
_journal_paper_doi               10.1016/S0925-8388(97)00456-8
_journal_volume                  266
_journal_year                    1998
_chemical_formula_structural     '(Li0.66 Mn1.34) N'
_chemical_formula_sum            'Li0.66 Mn1.34 N'
_chemical_name_systematic        'Lithium manganese nitride (0.66/1.34/1)'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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                   4.68578(9)
_cell_length_b                   4.68578(9)
_cell_length_c                   2.97762(9)
_cell_volume                     65.4
_refine_ls_R_factor_all          0.042
_cod_original_formula_sum        'Li.66 Mn1.34 N'
_cod_database_code               1005047
Synthesis, crystal structure and properties of a lithium manganese nitride, (Li, Mn)2 N
Niewa, R; DiSalvo, F J; Yang, D-K; Zax, D B; Luo, H; Yelon, W B; Journal of Alloys Compd. 266 (1998) 32–38; doi:10.1016/S0925-8388(97)00456-8

data_1005048
_publ_section_title
;
Synthesis, crystal structure and properties of a lithium manganese
nitride, (Li, Mn)2 N
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              32
_journal_page_last               38
_journal_paper_doi               10.1016/S0925-8388(97)00456-8
_journal_volume                  266
_journal_year                    1998
_chemical_formula_analytical     '(Li0.67 Mn1.33) N'
_chemical_formula_structural     '(Li0.86 Mn1.14) N'
_chemical_formula_sum            'Li0.86 Mn1.14 N'
_chemical_name_systematic        'Lithium manganese nitride (0.86/1.14/1)'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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                   4.69795(6)
_cell_length_b                   4.69795(6)
_cell_length_c                   2.96053(5)
_cell_volume                     65.3
_refine_ls_R_factor_all          0.049
_cod_original_formula_sum        'Li.86 Mn1.14 N'
_cod_database_code               1005048