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_4002801
_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     Ca3(AlN2)2
_chemical_formula_sum            'Al8 Ca12 N16'
_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                 92.11171133
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   10.61816044
_cell_length_b                   8.29632188
_cell_length_c                   5.54129190
_cell_volume                     487.810
_cod_data_source_file            49.cif
_cod_data_source_block           Ca3(AlN2)2
_cod_original_cell_volume        487.81018952
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'Ca12 Al8 N16'
_cod_database_code               4002801
_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_4002802
_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            'Al12 Li4 N16 Sr4'
_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                83.59998249
_cell_angle_beta                 76.82359578
_cell_angle_gamma                79.57570800
_cell_formula_units_Z            4
_cell_length_a                   5.88090320
_cell_length_b                   7.53395897
_cell_length_c                   9.99551202
_cell_volume                     422.948
_cod_data_source_file            5.cif
_cod_data_source_block           SrLiAl3N4
_cod_original_cell_volume        422.947572825
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'Sr4 Li4 Al12 N16'
_cod_database_code               4002802
_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_4002803
_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     Ca2Si5N8
_chemical_formula_sum            'Ca16 N64 Si40'
_space_group_IT_number           61
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            8
_cell_length_a                   9.71263788
_cell_length_b                   13.69531514
_cell_length_c                   10.66420399
_cell_volume                     1418.527
_cod_data_source_file            50.cif
_cod_data_source_block           Ca2Si5N8
_cod_original_cell_volume        1418.52721105
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'Ca16 Si40 N64'
_cod_database_code               4002803
_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_4002804
_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     SrYSi4N7
_chemical_formula_sum            'N14 Si8 Sr2 Y2'
_space_group_IT_number           186
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                120.00000000
_cell_formula_units_Z            2
_cell_length_a                   6.06146913
_cell_length_b                   6.06146913
_cell_length_c                   9.88814400
_cell_volume                     314.631
_cod_data_source_file            51.cif
_cod_data_source_block           SrYSi4N7
_cod_original_cell_volume        314.630781888
_cod_original_sg_symbol_H-M      P6_3mc
_cod_original_formula_sum        'Sr2 Y2 Si8 N14'
_cod_database_code               4002804
_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_4002805
_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     Ca5Al2(SiN4)2
_chemical_formula_sum            'Al8 Ca20 N32 Si8'
_space_group_IT_number           60
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   9.30254885
_cell_length_b                   6.17972086
_cell_length_c                   15.56158812
_cell_volume                     894.591
_cod_data_source_file            52.cif
_cod_data_source_block           Ca5Al2(SiN4)2
_cod_original_cell_volume        894.591431094
_cod_original_sg_symbol_H-M      Pbcn
_cod_original_formula_sum        'Ca20 Al8 Si8 N32'
_cod_database_code               4002805
_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_4002806
_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     Ca2PN3
_chemical_formula_sum            'Ca16 N24 P8'
_space_group_IT_number           64
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            8
_cell_length_a                   5.22429700
_cell_length_b                   10.38763600
_cell_length_c                   11.31695300
_cell_volume                     614.149
_cod_data_source_file            53.cif
_cod_data_source_block           Ca2PN3
_cod_original_cell_volume        614.149487213
_cod_original_sg_symbol_H-M      Cmce
_cod_original_formula_sum        'Ca16 P8 N24'
_cod_database_code               4002806
_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_4002807
_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     SrSiN2
_chemical_formula_sum            'N8 Si4 Sr4'
_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                 112.71250627
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   5.99251924
_cell_length_b                   7.36846851
_cell_length_c                   5.54703082
_cell_volume                     225.939
_cod_data_source_file            54.cif
_cod_data_source_block           SrSiN2
_cod_original_cell_volume        225.939356755
_cod_original_sg_symbol_H-M      P2_1/c
_cod_original_formula_sum        'Sr4 Si4 N8'
_cod_database_code               4002807
_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_4002808
_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     Ca3(AlN2)2
_chemical_formula_sum            'Al8 Ca12 N16'
_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                 111.65489469
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   9.61467204
_cell_length_b                   5.83234034
_cell_length_c                   9.58310474
_cell_volume                     499.456
_cod_data_source_file            55.cif
_cod_data_source_block           Ca3(AlN2)2
_cod_original_cell_volume        499.45590624
_cod_original_sg_symbol_H-M      P2_1/c
_cod_original_formula_sum        'Ca12 Al8 N16'
_cod_database_code               4002808
_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_4002809
_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     Sr(Si3N4)2
_chemical_formula_sum            'N16 Si12 Sr2'
_space_group_IT_number           44
_symmetry_Int_Tables_number      44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            2
_cell_length_a                   7.94214684
_cell_length_b                   9.34931143
_cell_length_c                   4.84484518
_cell_volume                     359.747
_cod_data_source_file            56.cif
_cod_data_source_block           Sr(Si3N4)2
_cod_original_cell_volume        359.747216551
_cod_original_sg_symbol_H-M      Imm2
_cod_original_formula_sum        'Sr2 Si12 N16'
_cod_database_code               4002809
_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_4002810
_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     CaGeN2
_chemical_formula_sum            'Ca4 Ge4 N8'
_space_group_IT_number           122
_symmetry_Int_Tables_number      122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   5.44751101
_cell_length_b                   5.44751101
_cell_length_c                   7.30755969
_cell_volume                     216.855
_cod_data_source_file            57.cif
_cod_data_source_block           CaGeN2
_cod_original_cell_volume        216.854582894
_cod_original_sg_symbol_H-M      I-42d
_cod_database_code               4002810
_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_4002811
_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     CaSiN2
_chemical_formula_sum            'Ca4 N8 Si4'
_space_group_IT_number           122
_symmetry_Int_Tables_number      122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   5.25472770
_cell_length_b                   5.25472770
_cell_length_c                   7.10296794
_cell_volume                     196.128
_cod_data_source_file            58.cif
_cod_data_source_block           CaSiN2
_cod_original_cell_volume        196.128309972
_cod_original_sg_symbol_H-M      I-42d
_cod_original_formula_sum        'Ca4 Si4 N8'
_cod_database_code               4002811
_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_4002812
_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     AlSi143N191O
_chemical_formula_sum            'Al N191 O Si143'
_space_group_IT_number           1
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.99959335
_cell_angle_beta                 89.99987772
_cell_angle_gamma                60.02352930
_cell_formula_units_Z            1
_cell_length_a                   15.31853493
_cell_length_b                   15.32203111
_cell_length_c                   17.55878092
_cell_volume                     3569.945
_cod_data_source_file            59.cif
_cod_data_source_block           AlSi143N191O
_cod_original_cell_volume        3569.94466093
_cod_original_sg_symbol_H-M      P1
_cod_original_formula_sum        'Al1 Si143 N191 O1'
_cod_database_code               4002812
_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_4002813
_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     SrMg3SiN4
_chemical_formula_sum            'Mg48 N64 Si16 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                   11.62090211
_cell_length_b                   11.62090211
_cell_length_c                   13.65420361
_cell_volume                     1843.937
_cod_data_source_file            6.cif
_cod_data_source_block           SrMg3SiN4
_cod_original_cell_volume        1843.93692387
_cod_original_sg_symbol_H-M      I4_1/a
_cod_original_formula_sum        'Sr16 Mg48 Si16 N64'
_cod_database_code               4002813
_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_4002814
_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            'Al48 Ca16 Li16 N64'
_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                   11.23457271
_cell_length_b                   11.23457271
_cell_length_c                   12.93753742
_cell_volume                     1632.919
_cod_data_source_file            7.cif
_cod_data_source_block           LiCaAl3N4
_cod_original_cell_volume        1632.91935707
_cod_original_sg_symbol_H-M      I4_1/a
_cod_original_formula_sum        'Li16 Ca16 Al48 N64'
_cod_database_code               4002814
_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_4002815
_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     BaLi2Al2(SiN3)2
_chemical_formula_sum            'Al8 Ba4 Li8 N24 Si8'
_space_group_IT_number           56
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00000000
_cell_angle_beta                 90.00000000
_cell_angle_gamma                90.00000000
_cell_formula_units_Z            4
_cell_length_a                   7.81448395
_cell_length_b                   7.97064069
_cell_length_c                   10.03211585
_cell_volume                     624.865
_cod_data_source_file            8.cif
_cod_data_source_block           BaLi2Al2(SiN3)2
_cod_original_cell_volume        624.864819517
_cod_original_sg_symbol_H-M      Pccn
_cod_original_formula_sum        'Ba4 Li8 Al8 Si8 N24'
_cod_database_code               4002815
_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_4002816
_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     SrMg3SiN4
_chemical_formula_sum            'Mg12 N16 Si4 Sr4'
_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                83.26842130
_cell_angle_beta                 76.59985396
_cell_angle_gamma                79.43409805
_cell_formula_units_Z            4
_cell_length_a                   6.03487658
_cell_length_b                   7.78948374
_cell_length_c                   10.30752134
_cell_volume                     461.942
_cod_data_source_file            9.cif
_cod_data_source_block           SrMg3SiN4
_cod_original_cell_volume        461.941714783
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'Sr4 Mg12 Si4 N16'
_cod_database_code               4002816
_cod_struct_determination_method theoretical