LMucko/crystallography-open-database huggingface dataset:
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Niewa, R.; Wagner, F.R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533892
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'In N Sm3'
_chemical_name_systematic        '(Sm3 N) In'
_space_group_IT_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                   4.9077
_cell_length_b                   4.9077
_cell_length_c                   4.9077
_cell_volume                     118.205
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_952.cif
_cod_data_source_block           In1N1Sm3
_cod_original_cell_volume        118.2045
_cod_original_formula_sum        'In1 N1 Sm3'
_cod_database_code               1533892
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533893
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'In N Tb3'
_chemical_name_systematic        '(Tb3 N) In'
_space_group_IT_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                   4.8126
_cell_length_b                   4.8126
_cell_length_c                   4.8126
_cell_volume                     111.465
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_953.cif
_cod_data_source_block           In1N1Tb3
_cod_original_cell_volume        111.4652
_cod_original_formula_sum        'In1 N1 Tb3'
_cod_database_code               1533893
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533894
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'In N Sc3'
_chemical_name_systematic        '(Sc3 N) In'
_space_group_IT_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                   4.4482
_cell_length_b                   4.4482
_cell_length_c                   4.4482
_cell_volume                     88.014
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_954.cif
_cod_data_source_block           In1N1Sc3
_cod_original_cell_volume        88.01425
_cod_original_formula_sum        'In1 N1 Sc3'
_cod_database_code               1533894
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Niewa, R.; Schnelle, W.; Wagner, F.R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533895
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'C Ce3 In'
_chemical_name_systematic        '(Ce3 C) In'
_space_group_IT_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                   5.1219
_cell_length_b                   5.1219
_cell_length_c                   5.1219
_cell_volume                     134.367
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_956.cif
_cod_data_source_block           C1Ce3In1
_cod_original_cell_volume        134.3672
_cod_original_formula_sum        'C1 Ce3 In1'
_cod_database_code               1533895
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Wagner, F.R.; Schnelle, W.; Niewa, R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533896
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'C In Nd3'
_chemical_name_systematic        '(Nd3 C) In'
_space_group_IT_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                   5.0667
_cell_length_b                   5.0667
_cell_length_c                   5.0667
_cell_volume                     130.070
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_957.cif
_cod_data_source_block           C1In1Nd3
_cod_original_cell_volume        130.0695
_cod_original_formula_sum        'C1 In1 Nd3'
_cod_database_code               1533896
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533897
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Gd3 In N'
_chemical_name_systematic        '(Gd3 N) In'
_space_group_IT_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                   4.8627
_cell_length_b                   4.8627
_cell_length_c                   4.8627
_cell_volume                     114.983
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_958.cif
_cod_data_source_block           Gd3In1N1
_cod_original_cell_volume        114.9827
_cod_original_formula_sum        'Gd3 In1 N1'
_cod_database_code               1533897
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533898
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Dy3 In N'
_chemical_name_systematic        '(Dy3 N) In'
_space_group_IT_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                   4.7859
_cell_length_b                   4.7859
_cell_length_c                   4.7859
_cell_volume                     109.620
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_959.cif
_cod_data_source_block           Dy3In1N1
_cod_original_cell_volume        109.6203
_cod_original_formula_sum        'Dy3 In1 N1'
_cod_database_code               1533898
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533899
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Ho3 In N'
_chemical_name_systematic        '(Ho3 N) In'
_space_group_IT_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                   4.7611
_cell_length_b                   4.7611
_cell_length_c                   4.7611
_cell_volume                     107.925
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_960.cif
_cod_data_source_block           Ho3In1N1
_cod_original_cell_volume        107.9249
_cod_original_formula_sum        'Ho3 In1 N1'
_cod_database_code               1533899
Tellurium-loaded zeolites. III. The structure of Te/Na X
Olson, D. H.; Mikovsky, R. J.; Dempsey, E.; Shipman, G. F.; Journal of Catalysis 24 (1972) 161–169; doi:10.1016/0021-9517(72)90020-6

data_1533900
_publ_section_title
;
 Tellurium-loaded zeolites. III. The structure of Te/Na X
;
_journal_issue                   1
_journal_name_full               'Journal of Catalysis'
_journal_page_first              161
_journal_page_last               169
_journal_paper_doi               10.1016/0021-9517(72)90020-6
_journal_volume                  24
_journal_year                    1972
_chemical_formula_sum            'Al54 Na64 O384 Si138 Te5'
_chemical_name_systematic        'Na64 Al54 Si138 O384 Te5'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.76
_cell_length_b                   24.76
_cell_length_c                   24.76
_cell_volume                     15179.306
_citation_journal_id_ASTM        JCTLA5
_cod_data_source_file            Olson_JCTLA5_1972_550.cif
_cod_data_source_block           Al54Na64O384Si138Te5
_cod_original_cell_volume        15179.31
_cod_database_code               1533900
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533901
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Er3 In N'
_chemical_name_systematic        '(Er3 N) In'
_space_group_IT_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                   4.7366
_cell_length_b                   4.7366
_cell_length_c                   4.7366
_cell_volume                     106.267
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_961.cif
_cod_data_source_block           Er3In1N1
_cod_original_cell_volume        106.2674
_cod_original_formula_sum        'Er3 In1 N1'
_cod_database_code               1533901
Structural change of Cu (H C O O)2 * 4(H2 O) associated with the antiferroelectric phase transition
Omura, T.; Moriyoshi, C.; Ikeda, S.; Itoh, K.; Fukazawa, H.; Ferroelectrics 270 (2002) 375–380; doi:

data_1533902
_publ_section_title
;
 Structural change of Cu (H C O O)2 * 4(H2 O) associated with the
 antiferroelectric phase transition
;
_journal_name_full               Ferroelectrics
_journal_page_first              375
_journal_page_last               380
_journal_volume                  270
_journal_year                    2002
_chemical_formula_sum            'C2 H10 Cu O8'
_chemical_name_systematic        'Cu (H C O O)2 (H2 O)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.01
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.158
_cell_length_b                   8.128
_cell_length_c                   6.286
_cell_volume                     409.142
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Omura_FEROA8_2002_343.cif
_cod_data_source_block           C2H10Cu1O8
_cod_original_cell_volume        409.1416
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'C2 H10 Cu1 O8'
_cod_database_code               1533902
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Niewa, R.; Wagner, F.R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533903
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'In N Tm3'
_chemical_name_systematic        '(Tm3 N) In'
_space_group_IT_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                   4.708
_cell_length_b                   4.708
_cell_length_c                   4.708
_cell_volume                     104.354
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_962.cif
_cod_data_source_block           In1N1Tm3
_cod_original_cell_volume        104.3541
_cod_original_formula_sum        'In1 N1 Tm3'
_cod_database_code               1533903
Vacancy Ordering in V N1-x
Onozuka, T.; Journal of Applied Crystallography 11 (1978) 132–136; doi:

data_2300546
_publ_section_title
;
 Vacancy Ordering in V N1-x
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              132
_journal_page_last               136
_journal_volume                  11
_journal_year                    1978
_chemical_formula_sum            'N0.81 V'
_chemical_name_systematic        'V N.81'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   8.115
_cell_length_b                   8.115
_cell_length_c                   8.115
_cell_volume                     534.399
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Onozuka_JACGAR_1978_597.cif
_cod_data_source_block           N0.81V1
_cod_original_cell_volume        534.3989
_cod_original_sg_symbol_Hall     '-P 4ac 2a (x-1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'N0.81 V1'
_cod_database_code               2300546
Preparation, crystal structure and physical properties of ternary compounds (R3 N) In, R = rare-earth metal
Kirchner, M.; Schnelle, W.; Wagner, F.R.; Niewa, R.; Solid State Sciences 5 (2003) 1247–1257; doi:

data_1533904
_publ_section_title
;
 Preparation, crystal structure and physical properties of ternary
 compounds (R3 N) In, R = rare-earth metal
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1247
_journal_page_last               1257
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'In Lu3 N'
_chemical_name_systematic        '(Lu3 N) In'
_space_group_IT_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                   4.6716
_cell_length_b                   4.6716
_cell_length_c                   4.6716
_cell_volume                     101.952
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Kirchner_SSSCFJ_2003_963.cif
_cod_data_source_block           In1Lu3N1
_cod_original_cell_volume        101.9523
_cod_original_formula_sum        'In1 Lu3 N1'
_cod_database_code               1533904
Structure of Mo2.0-x Ni1.0+x P (x=0.2) and some crystal-chemical features of ternary phases in the Mo - Ni - P system
Orishchin, S.V.; Kuz'ma, Yu.B.; Guerin, P.; Zhak, O.V.; Deputier, S.; Neorganicheskie Materialy 38 (2002) 1415–1422; doi:

data_1533905
_publ_section_title
;
 Structure of Mo2.0-x Ni1.0+x P (x=0.2) and some crystal-chemical features
 of ternary phases in the Mo - Ni - P system
;
_journal_name_full               'Neorganicheskie Materialy'
_journal_page_first              1415
_journal_page_last               1422
_journal_volume                  38
_journal_year                    2002
_chemical_formula_sum            'Mo1.812 Ni1.188 P'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'I -2y'
_symmetry_space_group_name_H-M   'I 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.538
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.4036
_cell_length_b                   8.4055
_cell_length_c                   4.7357
_cell_volume                     413.976
_citation_journal_id_ASTM        NMATEI
_cod_data_source_file            Orishchin_NMATEI_2002_566.cif
_cod_data_source_block           Mo1.812Ni1.188P1
_cod_original_cell_volume        413.9758
_cod_original_sg_symbol_Hall     'C -2y (x,y,-x+z)'
_cod_original_formula_sum        'Mo1.812 Ni1.188 P1'
_cod_database_code               1533905
Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material
Gottschilch, Michael; Gourdon, Olivier; Persson, Joerg; de la Cruz, Clarina; Petricek, Vaclav; Brueckel, Thomas; Journal of Materials Chemistry 22 (2012) 15275–; doi:10.1039/c2jm00154c

data_7222424
_publ_section_title
;
 Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric
 effect material
;
_journal_issue                   30
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              15275
_journal_paper_doi               10.1039/c2jm00154c
_journal_volume                  22
_journal_year                    2012
_chemical_absolute_configuration .
_chemical_formula_sum            'Mn5 Si3'
_chemical_formula_weight         358.9
_chemical_name_systematic        ' ?'
_space_group_IT_number           ?
_space_group_ssg_name            C21/m1(\a\b0)0ss
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  ?
_symmetry_space_group_name_H-M   ?
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.268(3)
_cell_formula_units_Z            2
_cell_length_a                   6.8943(3)
_cell_length_b                   11.9131(5)
_cell_length_c                   4.80742(5)
_cell_measurement_temperature    90
_cell_modulation_dimension       1
_cell_volume                     394.84(2)
_diffrn_ambient_temperature      90
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     -1
_exptl_absorpt_coefficient_mu    0
_exptl_crystal_density_diffrn    3.0182
_exptl_crystal_F_000             668
_pd_instr_location               ' ?'
_pd_meas_2theta_range_max        72.793
_pd_meas_2theta_range_min        7.013
_pd_meas_number_of_points        2342
_pd_proc_2theta_range_max        72.793
_pd_proc_2theta_range_min        7.013
_pd_proc_ls_background_function  '10 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Gaussian
_pd_proc_ls_prof_R_factor        0.0374
_pd_proc_ls_prof_wR_expected     0.0069
_pd_proc_ls_prof_wR_factor       0.0411
_refine_ls_number_constraints    0
_refine_ls_number_parameters     66
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.1572
_refine_ls_shift/su_mean         0.0167
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c2jm00154c.txt
_cod_data_source_block           I
_cod_database_code               7222424
_jana_cell_commen_supercell_matrix_1_1 1
_jana_cell_commen_supercell_matrix_1_2 0
_jana_cell_commen_supercell_matrix_1_3 0
_jana_cell_commen_supercell_matrix_2_1 0
_jana_cell_commen_supercell_matrix_2_2 1
_jana_cell_commen_supercell_matrix_2_3 0
_jana_cell_commen_supercell_matrix_3_1 0
_jana_cell_commen_supercell_matrix_3_2 0
_jana_cell_commen_supercell_matrix_3_3 1
_jana_cell_commen_t_section_1    0