LMucko/crystallography-open-database huggingface dataset:
Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40
Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.; Acta Crystallographica Section B 47 (1991) 672–678; doi:10.1107/S0108768191004883

data_2100738
_publ_section_title
;
 Structural changes in O'-sialons,
 Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {\/leq}
 <i>x</i> {\/leq} 0.40
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              672
_journal_page_last               678
_journal_paper_doi               10.1107/S0108768191004883
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al0.24 N1.76 O1.24 Si1.76'
_chemical_formula_weight         100.40
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9038(8)
_cell_length_b                   5.4997(4)
_cell_length_c                   4.8574(4)
_cell_volume                     237.86(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.540598
_exptl_crystal_density_diffrn    2.804
_cod_data_source_file            ab0203.cif
_cod_data_source_block           ab0203c
_cod_original_cell_volume        237.86
_cod_database_code               2100738
Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40
Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.; Acta Crystallographica Section B 47 (1991) 672–678; doi:10.1107/S0108768191004883

data_2100739
_publ_section_title
;
 Structural changes in O'-sialons,
 Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {\/leq}
 <i>x</i> {\/leq} 0.40
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              672
_journal_page_last               678
_journal_paper_doi               10.1107/S0108768191004883
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al0.3 N1.7 O1.3 Si1.7'
_chemical_formula_weight         100.45
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9161(13)
_cell_length_b                   5.4956(7)
_cell_length_c                   4.8574(5)
_cell_volume                     238.01(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.540598
_exptl_crystal_density_diffrn    2.803
_cod_data_source_file            ab0203.cif
_cod_data_source_block           ab0203d
_cod_original_cell_volume        238.01
_cod_original_formula_sum        'Al0.30 N1.70 O1.30 Si1.70'
_cod_database_code               2100739
Structural changes in O'-sialons, Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {łeq} <i>x</i> {łeq} 0.40
Lindqvist, O.; Sjöberg, J.; Hull, S.; Pompe, R.; Acta Crystallographica Section B 47 (1991) 672–678; doi:10.1107/S0108768191004883

data_2100740
_publ_section_title
;
 Structural changes in O'-sialons,
 Si~2{-~<i>x</i>}Al~<i>x~</i>N~2{-~<i>x</i>}O~1+<i>x~</i>, 0.04 {\/leq}
 <i>x</i> {\/leq} 0.40
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              672
_journal_page_last               678
_journal_paper_doi               10.1107/S0108768191004883
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Al0.4 N1.6 O1.4 Si1.6'
_chemical_formula_weight         100.54
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9239(8)
_cell_length_b                   5.4982(5)
_cell_length_c                   4.8599(3)
_cell_volume                     238.45(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.540598
_exptl_crystal_density_diffrn    2.801
_cod_data_source_file            ab0203.cif
_cod_data_source_block           ab0203e
_cod_original_cell_volume        238.95
_cod_original_formula_sum        'Al0.40 N1.60 O1.40 Si1.60'
_cod_database_code               2100740
Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex
Ding, J.; Steiner, T.; Saenger, W.; Acta Crystallographica Section B 47 (1991) 731–738; doi:10.1107/S0108768191003373

data_2100741
_publ_section_title
;
 Structure of the \g-cyclodextrin--1-propanol--17H~2~O inclusion
 complex
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              731
_journal_page_last               738
_journal_paper_doi               10.1107/S0108768191003373
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C48 H80 O40,C3 H8 O1,17(H2 O1)'
_chemical_formula_sum            'C51 H122 O58'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2ab'
_symmetry_space_group_name_H-M   'P 4 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   23.840(5)
_cell_length_b                   23.840(5)
_cell_length_c                   23.227(6)
_cell_volume                     13201(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54182
_exptl_absorpt_coefficient_mu    0.198
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_F_000             1166.00
_cod_data_source_file            ha0027.cif
_cod_data_source_block           ha0027a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30
;
_cod_database_code               2100741
Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex
Ding, J.; Steiner, T.; Saenger, W.; Acta Crystallographica Section B 47 (1991) 731–738; doi:10.1107/S0108768191003373

data_2100742
_publ_section_title
;
 Structure of the \g-cyclodextrin--1-propanol--17H~2~O inclusion
 complex
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              731
_journal_page_last               738
_journal_paper_doi               10.1107/S0108768191003373
_journal_volume                  47
_journal_year                    1991
_chemical_formula_moiety         'C48 H80 O40,C3 H8 O1,17(H2 O1)'
_chemical_formula_sum            'C51 H122 O58'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2ab'
_symmetry_space_group_name_H-M   'P 4 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   23.8093(5)
_cell_length_b                   23.8093(5)
_cell_length_c                   23.2069(5)
_cell_volume                     13155.6(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54182
_exptl_absorpt_coefficient_mu    0.199
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_F_000             1166.00
_cod_data_source_file            ha0027.cif
_cod_data_source_block           ha0027b
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-30
;
_cod_database_code               2100742
The ordered and disordered phases of three unsymmetrical cyclic nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II), 1,3-dinitro-1,3-diazacycloheptane; (III), 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane
Pickering, M.; Rylance, J.; Small, R. W. H.; Stubley, D.; Acta Crystallographica Section B 47 (1991) 782–789; doi:10.1107/S0108768191006420

data_2100743
_publ_section_title
;
 The ordered and disordered phases of three unsymmetrical cyclic
 nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II),
 1,3-dinitro-1,3-diazacycloheptane; (III),
 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               789
_journal_paper_doi               10.1107/S0108768191006420
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C4 H8 N4 O4'
_chemical_formula_weight         176.13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.00(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.630(10)
_cell_length_b                   21.39(2)
_cell_length_c                   6.060(10)
_cell_volume                     744(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.095
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_meas      1.570
_exptl_crystal_F_000             368.0
_cod_data_source_file            li0078.cif
_cod_data_source_block           li0078a
_cod_original_cell_volume        744.26
_cod_database_code               2100743
The ordered and disordered phases of three unsymmetrical cyclic nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II), 1,3-dinitro-1,3-diazacycloheptane; (III), 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane
Pickering, M.; Rylance, J.; Small, R. W. H.; Stubley, D.; Acta Crystallographica Section B 47 (1991) 782–789; doi:10.1107/S0108768191006420

data_2100744
_publ_section_title
;
 The ordered and disordered phases of three unsymmetrical cyclic
 nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II),
 1,3-dinitro-1,3-diazacycloheptane; (III),
 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               789
_journal_paper_doi               10.1107/S0108768191006420
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C5 H10 N4 O4'
_chemical_formula_weight         190.16
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.10(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.738(8)
_cell_length_b                   11.200(10)
_cell_length_c                   8.383(7)
_cell_volume                     820.4(13)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.089
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_meas      1.528
_exptl_crystal_F_000             400.0
_cod_data_source_file            li0078.cif
_cod_data_source_block           li0078b
_cod_original_cell_volume        820.41
_cod_database_code               2100744
The ordered and disordered phases of three unsymmetrical cyclic nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II), 1,3-dinitro-1,3-diazacycloheptane; (III), 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane
Pickering, M.; Rylance, J.; Small, R. W. H.; Stubley, D.; Acta Crystallographica Section B 47 (1991) 782–789; doi:10.1107/S0108768191006420

data_2100745
_publ_section_title
;
 The ordered and disordered phases of three unsymmetrical cyclic
 nitramines: (I), 1,3-dinitro-1,3-diazacyclohexane; (II),
 1,3-dinitro-1,3-diazacycloheptane; (III),
 1,5-dinitro-3-nitroso-1,3,5-triazacycloheptane
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              782
_journal_page_last               789
_journal_paper_doi               10.1107/S0108768191006420
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C4 H8 N6 O5'
_chemical_formula_weight         220.15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.40(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.300(10)
_cell_length_b                   6.340(10)
_cell_length_c                   12.230(10)
_cell_volume                     855.7(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.107
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_meas      1.707
_exptl_crystal_F_000             456.0
_cod_data_source_file            li0078.cif
_cod_data_source_block           li0078c
_cod_original_cell_volume        855.74
_cod_database_code               2100745
Neutron diffraction at 115 K to 1.09 Å^{‒^1} from cobalt phthalocyanine
Reynolds, P. A.; Figgis, B. N.; Kucharski, E. S.; Mason, S. A.; Acta Crystallographica Section B 47 (1991) 899–904; doi:10.1107/S0108768191009230

data_2100746
_publ_section_title
;
 Neutron diffraction at 115 K to 1.09 \%A^{--^1} from cobalt
 phthalocyanine
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              899
_journal_page_last               904
_journal_paper_doi               10.1107/S0108768191009230
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C32 H16 Co N8'
_chemical_formula_weight         571.47
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.76(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.489(9)
_cell_length_b                   4.763(4)
_cell_length_c                   19.156(16)
_cell_volume                     1136.0(16)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     0.7530(10)
_exptl_absorpt_coefficient_mu    0.0879
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_F_000             '46.05E-14 m'
_cod_data_source_file            al0479.cif
_cod_data_source_block           al0479a
_cod_original_cell_volume        1136(3)
_cod_original_formula_sum        'C32 H16 Co1 N8'
_cod_database_code               2100746
Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid
Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.; Acta Crystallographica Section B 47 (1991) 1010–1019; doi:10.1107/S0108768191008996

data_2100747
_publ_section_title
;
 Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of
 the plant hormone indole-3-acetic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1010
_journal_page_last               1019
_journal_paper_doi               10.1107/S0108768191008996
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C11 H11 N O2'
_chemical_formula_weight         189.21
_symmetry_cell_setting           monoclinic
_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                 95.63(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.048(8)
_cell_length_b                   5.382(2)
_cell_length_c                   17.525(13)
_cell_volume                     943.2(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0863
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_F_000             400
_cod_data_source_file            ha0069.cif
_cod_data_source_block           ha0069a
_cod_original_cell_volume        943.0(10)
_cod_original_formula_sum        'C11 H11 N1 O2'
_cod_database_code               2100747
Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid
Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.; Acta Crystallographica Section B 47 (1991) 1010–1019; doi:10.1107/S0108768191008996

data_2100748
_publ_section_title
;
 Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of
 the plant hormone indole-3-acetic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1010
_journal_page_last               1019
_journal_paper_doi               10.1107/S0108768191008996
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C12 H13 N O2'
_chemical_formula_weight         203.24
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.45(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   41.986(13)
_cell_length_b                   7.954(2)
_cell_length_c                   6.347(2)
_cell_volume                     2101.7(11)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.082
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_F_000             864
_cod_data_source_file            ha0069.cif
_cod_data_source_block           ha0069b
_cod_original_cell_volume        2102
_cod_original_formula_sum        'C12 H13 N1 O2'
_cod_database_code               2100748
Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid
Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.; Acta Crystallographica Section B 47 (1991) 1010–1019; doi:10.1107/S0108768191008996

data_2100749
_publ_section_title
;
 Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of
 the plant hormone indole-3-acetic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1010
_journal_page_last               1019
_journal_paper_doi               10.1107/S0108768191008996
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C13 H15 N O2'
_chemical_formula_weight         217.27
_symmetry_cell_setting           monoclinic
_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                 91.260(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.281(2)
_cell_length_b                   8.0220(10)
_cell_length_c                   23.205(6)
_cell_volume                     1168.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0778
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_F_000             464
_cod_data_source_file            ha0069.cif
_cod_data_source_block           ha0069c
_cod_original_cell_volume        1169.0(5)
_cod_original_formula_sum        'C13 H15 N1 O2'
_cod_database_code               2100749
Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of the plant hormone indole-3-acetic acid
Kojić-Prodić, B.; Nigović, B.; Tomić, S.; Ilić, N.; Magnus, V.; Giba, Z.; Konjević, R.; Duax, W. L.; Acta Crystallographica Section B 47 (1991) 1010–1019; doi:10.1107/S0108768191008996

data_2100750
_publ_section_title
;
 Structural studies on 5-(<i>n</i>-alkyl)-substituted derivatives of
 the plant hormone indole-3-acetic acid
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1010
_journal_page_last               1019
_journal_paper_doi               10.1107/S0108768191008996
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C14 H17 N O2'
_chemical_formula_weight         231.29
_symmetry_cell_setting           monoclinic
_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                 93.33(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.332(6)
_cell_length_b                   8.116(4)
_cell_length_c                   24.92(2)
_cell_volume                     1278.5(17)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.0749
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_F_000             496
_cod_data_source_file            ha0069.cif
_cod_data_source_block           ha0069d
_cod_original_cell_volume        1279(2)
_cod_original_formula_sum        'C14 H17 N1 O2'
_cod_database_code               2100750
Structure refinement of Al~3~Zr using single-crystal X-ray diffraction, powder neutron diffraction and CBED
Ma, Y.; Rømming, C.; Lebech, B.; Gjønnes, J.; Taftø, J.; Acta Crystallographica Section B 48 (1992) 11–16; doi:10.1107/S0108768191010467

data_2100751
_publ_section_title
;
 Structure refinement of Al~3~Zr using single-crystal X-ray
 diffraction, powder neutron diffraction and CBED
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              11
_journal_page_last               16
_journal_paper_doi               10.1107/S0108768191010467
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Al3 Zr'
_chemical_formula_weight         172.16
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.9993(5)
_cell_length_b                   3.9993(5)
_cell_length_c                   17.283(2)
_cell_volume                     276.43(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    4.511
_exptl_crystal_density_diffrn    4.136
_exptl_crystal_F_000             316
_cod_data_source_file            ab0236.cif
_cod_data_source_block           ab0236a
_cod_original_formula_sum        'Al3 Zr1'
_cod_database_code               2100751