LMucko/crystallography-open-database huggingface dataset:
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002769
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     BaLi2(SiN2)2
_chemical_formula_sum            'Ba12 Li24 N48 Si24'
_space_group_IT_number           205
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            12
_cell_length_a                   11.01509196
_cell_length_b                   11.01509196
_cell_length_c                   11.01509196
_cell_volume                     1336.486
_cod_data_source_file            14.cif
_cod_data_source_block           BaLi2(SiN2)2
_cod_original_cell_volume        1336.48590124
_cod_original_sg_symbol_H-M      Pa3
_cod_original_formula_sum        'Ba12 Li24 Si24 N48'
_cod_database_code               4002769
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002770
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     Ca2Mg(SiN2)3
_chemical_formula_sum            'Ca16 Mg8 N48 Si24'
_space_group_IT_number           15
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 98.07650356
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            8
_cell_length_a                   8.54796155
_cell_length_b                   8.48306060
_cell_length_c                   15.52767074
_cell_volume                     1114.788
_cod_data_source_file            15.cif
_cod_data_source_block           Ca2Mg(SiN2)3
_cod_original_cell_volume        1114.78810455
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'Ca16 Mg8 Si24 N48'
_cod_database_code               4002770
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002771
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     LiCaSi3N5
_chemical_formula_sum            'Ca4 Li4 N20 Si12'
_space_group_IT_number           33
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   5.37329525
_cell_length_b                   16.77165121
_cell_length_c                   4.91866488
_cell_volume                     443.265
_cod_data_source_file            16.cif
_cod_data_source_block           LiCaSi3N5
_cod_original_cell_volume        443.26532648
_cod_original_sg_symbol_H-M      Pna2_1
_cod_original_formula_sum        'Li4 Ca4 Si12 N20'
_cod_database_code               4002771
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002772
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     CaMg(SiN2)2
_chemical_formula_sum            'Ca2 Mg2 N8 Si4'
_space_group_IT_number           7
_symmetry_Int_Tables_number      7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 126.64705904
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            2
_cell_length_a                   5.13904629
_cell_length_b                   5.33546610
_cell_length_c                   8.59540664
_cell_volume                     189.092
_cod_data_source_file            18.cif
_cod_data_source_block           CaMg(SiN2)2
_cod_original_cell_volume        189.091933056
_cod_original_sg_symbol_H-M      Pc
_cod_original_formula_sum        'Ca2 Mg2 Si4 N8'
_cod_database_code               4002772
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002773
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     SrLiSi3N5
_chemical_formula_sum            'Li4 N20 Si12 Sr4'
_space_group_IT_number           33
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   5.50213283
_cell_length_b                   17.16643452
_cell_length_c                   4.92375262
_cell_volume                     465.058
_cod_data_source_file            19.cif
_cod_data_source_block           SrLiSi3N5
_cod_original_cell_volume        465.058296972
_cod_original_sg_symbol_H-M      Pna2_1
_cod_original_formula_sum        'Sr4 Li4 Si12 N20'
_cod_database_code               4002773
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002774
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     Sr2Si5N8
_chemical_formula_sum            'N16 Si10 Sr4'
_space_group_IT_number           31
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            2
_cell_length_a                   5.74931309
_cell_length_b                   6.88013091
_cell_length_c                   9.40536427
_cell_volume                     372.039
_cod_data_source_file            2.cif
_cod_data_source_block           Sr2Si5N8
_cod_original_cell_volume        372.038840204
_cod_original_sg_symbol_H-M      Pmn2_1
_cod_original_formula_sum        'Sr4 Si10 N16'
_cod_database_code               4002774
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002775
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     LiCaAl3N4
_chemical_formula_sum            'Al12 Ca4 Li4 N16'
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                84.21890335
_cell_angle_beta                 77.09288833
_cell_angle_gamma                79.76299481
_cell_formula_units_Z            4
_cell_length_a                   5.81277945
_cell_length_b                   7.43215697
_cell_length_c                   9.83773311
_cell_volume                     406.846
_cod_data_source_file            23.cif
_cod_data_source_block           LiCaAl3N4
_cod_original_cell_volume        406.845635896
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'Li4 Ca4 Al12 N16'
_cod_database_code               4002775
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002776
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     CaMg(SiN2)2
_chemical_formula_sum            'Ca4 Mg4 N16 Si8'
_space_group_IT_number           33
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   10.63982826
_cell_length_b                   5.22225098
_cell_length_c                   6.88689978
_cell_volume                     382.663
_cod_data_source_file            25.cif
_cod_data_source_block           CaMg(SiN2)2
_cod_original_cell_volume        382.662690843
_cod_original_sg_symbol_H-M      Pna2_1
_cod_original_formula_sum        'Ca4 Mg4 Si8 N16'
_cod_database_code               4002776
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002777
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     LiCa2SiN3
_chemical_formula_sum            'Ca8 Li4 N12 Si4'
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 94.93071903
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   6.28450358
_cell_length_b                   5.98028581
_cell_length_c                   9.67304515
_cell_volume                     362.198
_cod_data_source_file            26.cif
_cod_data_source_block           LiCa2SiN3
_cod_original_cell_volume        362.197946088
_cod_original_sg_symbol_H-M      P2_1/c
_cod_original_formula_sum        'Li4 Ca8 Si4 N12'
_cod_database_code               4002777
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002778
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     CaMg(SiN2)2
_chemical_formula_sum            'Ca4 Mg4 N16 Si8'
_space_group_IT_number           20
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   7.24579982
_cell_length_b                   7.65169825
_cell_length_c                   6.92316639
_cell_volume                     383.839
_cod_data_source_file            27.cif
_cod_data_source_block           CaMg(SiN2)2
_cod_original_cell_volume        383.838855842
_cod_original_sg_symbol_H-M      C222_1
_cod_original_formula_sum        'Ca4 Mg4 Si8 N16'
_cod_database_code               4002778
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002779
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     LiCaAl2N3
_chemical_formula_sum            'Al8 Ca4 Li4 N12'
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 94.30382560
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   5.59928393
_cell_length_b                   5.86672821
_cell_length_c                   10.03256796
_cell_volume                     328.635
_cod_data_source_file            28.cif
_cod_data_source_block           LiCaAl2N3
_cod_original_cell_volume        328.635279266
_cod_original_sg_symbol_H-M      P2_1/c
_cod_original_formula_sum        'Li4 Ca4 Al8 N12'
_cod_database_code               4002779
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002780
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     CaMg(SiN2)2
_chemical_formula_sum            'Ca4 Mg4 N16 Si8'
_space_group_IT_number           33
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   10.56930265
_cell_length_b                   6.92850906
_cell_length_c                   5.15217587
_cell_volume                     377.291
_cod_data_source_file            29.cif
_cod_data_source_block           CaMg(SiN2)2
_cod_original_cell_volume        377.291310109
_cod_original_sg_symbol_H-M      Pna2_1
_cod_original_formula_sum        'Ca4 Mg4 Si8 N16'
_cod_database_code               4002780
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002781
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     CaAlSiN3
_chemical_formula_sum            'Al4 Ca4 N12 Si4'
_space_group_IT_number           9
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.10967303
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   9.91734150
_cell_length_b                   5.69147349
_cell_length_c                   5.07361829
_cell_volume                     286.376
_cod_data_source_file            3.cif
_cod_data_source_block           CaAlSiN3
_cod_original_cell_volume        286.376238356
_cod_original_sg_symbol_H-M      Cc
_cod_original_formula_sum        'Ca4 Al4 Si4 N12'
_cod_database_code               4002781
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002782
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     LiCaAlN2
_chemical_formula_sum            'Al4 Ca4 Li4 N8'
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 101.02501392
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   5.18619594
_cell_length_b                   8.75836769
_cell_length_c                   5.38379165
_cell_volume                     240.032
_cod_data_source_file            31.cif
_cod_data_source_block           LiCaAlN2
_cod_original_cell_volume        240.032482964
_cod_original_sg_symbol_H-M      P2_1/c
_cod_original_formula_sum        'Li4 Ca4 Al4 N8'
_cod_database_code               4002782
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002783
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     BaLiAl3N4
_chemical_formula_sum            'Al12 Ba4 Li4 N16'
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.85995712
_cell_angle_beta                 76.58811320
_cell_angle_gamma                79.38239579
_cell_formula_units_Z            4
_cell_length_a                   5.97169191
_cell_length_b                   7.67807680
_cell_length_c                   10.21462918
_cell_volume                     446.147
_cod_data_source_file            32.cif
_cod_data_source_block           BaLiAl3N4
_cod_original_cell_volume        446.146816696
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'Ba4 Li4 Al12 N16'
_cod_database_code               4002783
_cod_struct_determination_method theoretical
Electronic Structure Descriptor for the Discovery of Narrow-Band Red-Emitting Phosphors
Wang, Zhenbin; Chu, Iek-Heng; Zhou, Fei; Ong, Shyue Ping; Chemistry of Materials 28 (2016) 4024–; doi:10.1021/acs.chemmater.6b01496

data_4002784
_publ_section_title
;
 Electronic Structure Descriptor for the Discovery of Narrow-Band
 Red-Emitting Phosphors
;
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4024
_journal_paper_doi               10.1021/acs.chemmater.6b01496
_journal_volume                  28
_journal_year                    2016
_chemical_formula_structural     SrLiAl3N4
_chemical_formula_sum            'Al48 Li16 N64 Sr16'
_space_group_IT_number           88
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            16
_cell_length_a                   11.33845260
_cell_length_b                   11.33845260
_cell_length_c                   13.17224498
_cell_volume                     1693.430
_cod_data_source_file            33.cif
_cod_data_source_block           SrLiAl3N4
_cod_original_cell_volume        1693.43049773
_cod_original_sg_symbol_H-M      I4_1/a
_cod_original_formula_sum        'Sr16 Li16 Al48 N64'
_cod_database_code               4002784
_cod_struct_determination_method theoretical