LMucko/crystallography-open-database huggingface dataset:
Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure
Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji; Acta Crystallographica Section B 71 (2015) 727–736; doi:10.1107/S2052520615022283

data_2107285
_publ_section_title
;
 Structure--property relationships in lithium superionic conductors having
 a Li~10~GeP~2~S~12~-type structure
;
_journal_coeditor_code           KC5021SUP1
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              727
_journal_page_last               736
_journal_paper_doi               10.1107/S2052520615022283
_journal_volume                  71
_journal_year                    2015
_chemical_formula_moiety         'Li10.35 P1.65 S12 Si1.35'
_chemical_formula_structural     'Li10.35 P1.65 S12 Si1.35'
_chemical_formula_sum            'Li10.35 P1.65 S12 Si1.35'
_chemical_formula_weight         545.641
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            2
_cell_length_a                   8.68385(5)
_cell_length_b                   8.68385(5)
_cell_length_c                   12.55589(10)
_cell_measurement_reflns_used    785
_cell_measurement_temperature    300
_cell_volume                     946.830(11)
_computing_publication_material
'Oishi, R. et. al., (2009). Nuc. Instrum. Methods Phys. Res. 600, 94-96.'
_computing_structure_refinement  Z-Rietveld
_diffrn_ambient_temperature      300
_diffrn_measured_fraction_theta_full 'not evaluated'
_diffrn_measurement_device_type  'iMateria at J-Parc'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     '0.36 < lambda < 10.18 Ang'
_diffrn_source                   time-of-flight
_diffrn_source_type              J-Parc
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.914
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_pd_calc_method                  'Rietveld Refinement'
_iucr_refine_instructions_details
'Occupancy of Si1 and P1 is constrained at 0.675 and 0.325, respectively. '
_cod_data_source_file            kc5021sup1.cif
_cod_data_source_block           Li10.35Si1.35P1.65S12_at_300K
_cod_original_cell_volume        946.830(13)
_cod_original_sg_symbol_H-M      P4_2/nmc:1
_cod_database_code               2107285
_cod_database_fobs_code 2107285
Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure
Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji; Acta Crystallographica Section B 71 (2015) 727–736; doi:10.1107/S2052520615022283

data_2107286
_publ_section_title
;
 Structure--property relationships in lithium superionic conductors having
 a Li~10~GeP~2~S~12~-type structure
;
_journal_coeditor_code           KC5021SUP1
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              727
_journal_page_last               736
_journal_paper_doi               10.1107/S2052520615022283
_journal_volume                  71
_journal_year                    2015
_chemical_formula_moiety         'Li10.35 P1.65 S12 Si1.35'
_chemical_formula_sum            'Li10.35 P1.65 S12 Si1.35'
_chemical_formula_weight         545.641
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            2
_cell_length_a                   8.76517(5)
_cell_length_b                   8.76517(5)
_cell_length_c                   12.67003(12)
_cell_measurement_reflns_used    714
_cell_measurement_temperature    800
_cell_volume                     973.416(12)
_computing_publication_material
'Oishi, R. et. al., (2009). Nuc. Instrum. Methods Phys. Res. 600, 94-96.'
_computing_structure_refinement  Z-Rietveld
_diffrn_ambient_temperature      800
_diffrn_measured_fraction_theta_full 'not evaluated'
_diffrn_measurement_device_type  'iMateria at J-Parc'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     '0.36 < lambda < 10.18 Ang'
_diffrn_source                   time-of-flight
_diffrn_source_type              J-Parc
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.863
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_pd_calc_method                  'Rietveld Refinement'
_iucr_refine_instructions_details
'Occupancy of Si1 and P1 is constrained at 0.675 and 0.325, respectively. '
_cod_data_source_file            kc5021sup1.cif
_cod_data_source_block           Li10.35Si1.35P1.65S12_at_800K
_cod_original_cell_volume        973.416(14)
_cod_original_sg_symbol_H-M      P4_2/nmc:1
_cod_database_code               2107286
_cod_database_fobs_code 2107286
Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure
Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji; Acta Crystallographica Section B 71 (2015) 727–736; doi:10.1107/S2052520615022283

data_2107287
_publ_section_title
;
 Structure--property relationships in lithium superionic conductors having
 a Li~10~GeP~2~S~12~-type structure
;
_journal_coeditor_code           KC5021SUP1
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              727
_journal_page_last               736
_journal_paper_doi               10.1107/S2052520615022283
_journal_volume                  71
_journal_year                    2015
_chemical_formula_moiety         'Li9.81 P2.19 S12 Sn0.81'
_chemical_formula_sum            'Li9.81 P2.19 S12 Sn0.81'
_chemical_formula_weight         616.859
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            2
_cell_length_a                   8.70054(3)
_cell_length_b                   8.70054(3)
_cell_length_c                   12.68610(8)
_cell_measurement_reflns_used    762
_cell_measurement_temperature    12
_cell_volume                     960.330(8)
_computing_publication_material
'Oishi, R. et. al., (2009). Nuc. Instrum. Methods Phys. Res. 600, 94-96.'
_computing_structure_refinement  Z-Rietveld
_diffrn_ambient_temperature      12
_diffrn_measured_fraction_theta_full 'not evaluated'
_diffrn_measurement_device_type  'iMateria at J-Parc'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     '0.36 < lambda < 10.18 Ang'
_diffrn_source                   time-of-flight
_diffrn_source_type              J-Parc
_exptl_crystal_colour            Grey
_exptl_crystal_density_diffrn    2.133
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_pd_calc_method                  'Rietveld Refinement'
_iucr_refine_instructions_details
'Occupancy of Sn1 and P1 is constrained at 0.405 and 0.595, respectively. '
_cod_data_source_file            kc5021sup1.cif
_cod_data_source_block           Li9.81Sn0.81P2.19S12_at_12K
_cod_original_cell_volume        960.330(9)
_cod_original_sg_symbol_H-M      P4_2/nmc:1
_cod_database_code               2107287
_cod_database_fobs_code 2107287
Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure
Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji; Acta Crystallographica Section B 71 (2015) 727–736; doi:10.1107/S2052520615022283

data_2107288
_publ_section_title
;
 Structure--property relationships in lithium superionic conductors having
 a Li~10~GeP~2~S~12~-type structure
;
_journal_coeditor_code           KC5021SUP1
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              727
_journal_page_last               736
_journal_paper_doi               10.1107/S2052520615022283
_journal_volume                  71
_journal_year                    2015
_chemical_formula_moiety         'Li9.81 P2.19 S12 Sn0.81'
_chemical_formula_sum            'Li9.81 P2.19 S12 Sn0.81'
_chemical_formula_weight         616.859
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            2
_cell_length_a                   8.73764(3)
_cell_length_b                   8.73764(3)
_cell_length_c                   12.71660(7)
_cell_measurement_reflns_used    481
_cell_measurement_temperature    300
_cell_volume                     970.866(7)
_computing_publication_material
'Oishi, R. et. al., (2009). Nuc. Instrum. Methods Phys. Res. 600, 94-96.'
_computing_structure_refinement  Z-Rietveld
_diffrn_ambient_temperature      300
_diffrn_measured_fraction_theta_full 'not evaluated'
_diffrn_measurement_device_type  'iMateria at J-Parc'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     '0.36 < lambda < 10.18 Ang'
_diffrn_source                   time-of-flight
_diffrn_source_type              J-Parc
_exptl_crystal_colour            Grey
_exptl_crystal_density_diffrn    2.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_pd_calc_method                  'Rietveld Refinement'
_iucr_refine_instructions_details
'Occupancy of Sn1 and P1 is constrained at 0.405 and 0.595, respectively. '
_cod_data_source_file            kc5021sup1.cif
_cod_data_source_block           Li9.81Sn0.81P2.19S12_at_300K
_cod_original_cell_volume        970.866(9)
_cod_original_sg_symbol_H-M      P4_2/nmc:1
_cod_database_code               2107288
_cod_database_fobs_code 2107288
Structure‒property relationships in lithium superionic conductors having a Li~10~GeP~2~S~12~-type structure
Hori, Satoshi; Taminato, Sou; Suzuki, Kota; Hirayama, Masaaki; Kato, Yuki; Kanno, Ryoji; Acta Crystallographica Section B 71 (2015) 727–736; doi:10.1107/S2052520615022283

data_2107289
_publ_section_title
;
 Structure--property relationships in lithium superionic conductors having
 a Li~10~GeP~2~S~12~-type structure
;
_journal_coeditor_code           KC5021SUP1
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              727
_journal_page_last               736
_journal_paper_doi               10.1107/S2052520615022283
_journal_volume                  71
_journal_year                    2015
_chemical_formula_moiety         'Li9.81 P2.19 S12 Sn0.81'
_chemical_formula_sum            'Li9.81 P2.19 S12 Sn0.81'
_chemical_formula_weight         616.859
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            2
_cell_length_a                   8.81049(3)
_cell_length_b                   8.81049(3)
_cell_length_c                   12.79398(7)
_cell_measurement_reflns_used    338
_cell_measurement_temperature    800
_cell_volume                     993.129(7)
_computing_publication_material
'Oishi, R. et. al., (2009). Nuc. Instrum. Methods Phys. Res. 600, 94-96.'
_computing_structure_refinement  Z-Rietveld
_diffrn_ambient_temperature      800
_diffrn_measured_fraction_theta_full 'not evaluated'
_diffrn_measurement_device_type  'iMateria at J-Parc'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     '0.36 < lambda < 10.18 Ang'
_diffrn_source                   time-of-flight
_diffrn_source_type              J-Parc
_exptl_crystal_colour            Grey
_exptl_crystal_density_diffrn    2.063
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_pd_calc_method                  'Rietveld Refinement'
_iucr_refine_instructions_details
'Occupancy of Sn1 and P1 is constrained at 0.405 and 0.595, respectively. '
_cod_data_source_file            kc5021sup1.cif
_cod_data_source_block           Li9.81Sn0.81P2.19S12_at_800K
_cod_original_cell_volume        993.129(9)
_cod_original_sg_symbol_H-M      P4_2/nmc:1
_cod_database_code               2107289
_cod_database_fobs_code 2107289
Dipotassium sodium tris(dicyanoargentate(I))
Zabel, M.; Kuehnel, S.; Range, K.J.; Acta Crystallographica C (39,1983-) 45 (1989) 1619–1621; doi:

data_2020338
_publ_section_title
;
 Dipotassium sodium tris(dicyanoargentate(I))
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1619
_journal_page_last               1621
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'C6 Ag3 K2 N6 Na'
_chemical_name_systematic        'K2 Na (Ag (C N)2)3'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.0509
_cell_length_b                   7.0509
_cell_length_c                   8.5766
_cell_volume                     369.262
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Zabel_ACSCEE_1989_771.cif
_cod_data_source_block           C6Ag3K2N6Na1
_cod_original_cell_volume        369.2622
_cod_original_formula_sum        'C6 Ag3 K2 N6 Na1'
_cod_database_code               2020338
The crystal structure of beta plutonium metal
Zachariasen, W.H.; Ellinger, F.H.; Acta Crystallographica (1,1948-23,1967) 16 (1963) 369–375; doi:

data_2311043
_publ_section_title
;
 The crystal structure of beta plutonium metal
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              369
_journal_page_last               375
_journal_volume                  16
_journal_year                    1963
_chemical_formula_sum            Pu
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 138.65
_cell_angle_gamma                90
_cell_formula_units_Z            34
_cell_length_a                   11.83
_cell_length_b                   10.449
_cell_length_c                   9.227
_cell_volume                     753.522
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Zachariasen_ACCRA9_1963_281.cif
_cod_data_source_block           Pu1
_cod_original_cell_volume        753.5223
_cod_original_formula_sum        Pu1
_cod_database_code               2311043
The crystal lattice of germano sulphide, Ge S
Zachariasen, W.H.; Physical Review (1,1893-132,1963/141,1966-188,1969) 40 (1932) 917–922; doi:

data_1540751
_publ_section_title
;
 The crystal lattice of germano sulphide, Ge S
;
_journal_name_full
'Physical Review (1,1893-132,1963/141,1966-188,1969)'
_journal_page_first              917
_journal_page_last               922
_journal_volume                  40
_journal_year                    1932
_chemical_formula_sum            'Ge S'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.42
_cell_length_b                   3.64
_cell_length_c                   4.29
_cell_volume                     162.715
_citation_journal_id_ASTM        PHRVAO
_cod_data_source_file            Zachariasen_PHRVAO_1932_296.cif
_cod_data_source_block           Ge1S1
_cod_original_cell_volume        162.7146
_cod_original_formula_sum        'Ge1 S1'
_cod_database_code               1540751
Kolumnarstrukturen bei Tri- und Diamminnitraten, (M (N H3)3) (N O3) und (M (N H3)2) (N O3) des einwertigen Kupfers und Silbers
Zachwieja, U.; Jacobs, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 571 (1989) 37–50; doi:

data_1540752
_publ_section_title
;
 Kolumnarstrukturen bei Tri- und Diamminnitraten, (M (N H3)3) (N O3) und
 (M (N H3)2) (N O3) des einwertigen Kupfers und Silbers
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              37
_journal_page_last               50
_journal_volume                  571
_journal_year                    1989
_chemical_formula_sum            'Ag H9 N4 O3'
_chemical_name_systematic        '(Ag (N H3)3) (N O3)'
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.057
_cell_length_b                   8.057
_cell_length_c                   5.84
_cell_volume                     328.315
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Zachwieja_ZAACAB_1989_1182.cif
_cod_data_source_block           H9Ag1N4O3
_cod_original_cell_volume        328.3146
_cod_original_formula_sum        'H9 Ag1 N4 O3'
_cod_database_code               1540752
Kolumnarstrukturen bei Tri- und Diamminnitraten, (M (N H3)3) (N O3) und (M (N H3)2) (N O3) des einwertigen Kupfres und Silbers
Zachwieja, U.; Jacobs, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 571 (1989) 37–50; doi:

data_1540753
_publ_section_title
;
 Kolumnarstrukturen bei Tri- und Diamminnitraten, (M (N H3)3) (N O3) und
 (M (N H3)2) (N O3) des einwertigen Kupfres und Silbers
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              37
_journal_page_last               50
_journal_volume                  571
_journal_year                    1989
_chemical_formula_sum            'Ag H6 N3 O3'
_chemical_name_systematic        '(Ag (N H3)2) (N O3)'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.573
_cell_length_b                   8.11
_cell_length_c                   6.286
_cell_volume                     539.006
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Zachwieja_ZAACAB_1989_1183.cif
_cod_data_source_block           H6Ag1N3O3
_cod_original_cell_volume        539.0058
_cod_original_formula_sum        'H6 Ag1 N3 O3'
_cod_database_code               1540753
Crystal structure and phase transitions of [C(NH~2~)~3~]~3~Sb~2~Cl~9~ . 0.9H~2~O
Zaleski, J.; Pietraszko, A.; Zeitschrift für Naturforschung A 49 (1994) 895–901; doi:10.1515/zna-1994-0913

data_7223664
_publ_section_title
;
 Crystal structure and phase transitions of
 [C(NH~2~)~3~]~3~Sb~2~Cl~9~ . 0.9H~2~O
;
_journal_issue                   9
_journal_name_full               'Zeitschrift f\"ur Naturforschung A'
_journal_page_first              895
_journal_page_last               901
_journal_paper_doi               10.1515/zna-1994-0913
_journal_volume                  49
_journal_year                    1994
_chemical_formula_sum            'C3 H19.8 Cl9 N9 O0.9 Sb2'
_chemical_name_systematic        '(C (N H2)3)3 (Sb2 Cl9) (H2 O).9'
_space_group_IT_number           15
_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                 96.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.275
_cell_length_b                   8.794
_cell_length_c                   17.904
_cell_volume                     2390.027
_citation_journal_id_ASTM        ZNASEI
_cod_data_source_file            Zaleski_ZNASEI_1994_1709.cif
_cod_data_source_block           C3H19.8Cl9N9O0.9Sb2
_cod_original_cell_volume        2390.026
_cod_database_code               7223664
Structure of rubidium uranyl(VI) trinitrate
Zalkin, A.; Templeton, L.K.; Templeton, D.H.; Acta Crystallographica C (39,1983-) 45 (1989) 810–811; doi:

data_2020339
_publ_section_title
;
 Structure of rubidium uranyl(VI) trinitrate
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              810
_journal_page_last               811
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'N3 O11 Rb U'
_chemical_name_systematic        'Rb (U O2) (N O3)3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.384
_cell_length_b                   9.384
_cell_length_c                   18.899
_cell_volume                     1441.270
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Zalkin_ACSCEE_1989_727.cif
_cod_data_source_block           N3O11Rb1U1
_cod_original_cell_volume        1441.27
_cod_original_formula_sum        'N3 O11 Rb1 U1'
_cod_database_code               2020339
The crystal structure of Ca (Cu Al)2.1 and Eu (Cu Al)2.1.
Zarechnyuk, O.S.; Manyako, N.B.; Yanson, T.I.; Bruskov, V.A.; Soviet Physics, Crystallography (= Kristallografiya) 33 (1988) 196–199; doi:

data_1540754
_publ_section_title
;
 The crystal structure of Ca (Cu Al)2.1 and Eu (Cu Al)2.1.
;
_journal_name_full
'Soviet Physics, Crystallography (= Kristallografiya)'
_journal_page_first              196
_journal_page_last               199
_journal_volume                  33
_journal_year                    1988
_chemical_formula_sum            'Al1.27 Ca Cu0.83'
_chemical_name_systematic        'Ca (Cu.83 Al1.27)'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            30
_cell_length_a                   15.298
_cell_length_b                   15.298
_cell_length_c                   9.289
_cell_volume                     1882.647
_citation_journal_id_ASTM        SPHCA6
_cod_data_source_file            Zarechnyuk_SPHCA6_1988_596.cif
_cod_data_source_block           Al1.27Ca1Cu0.83
_cod_original_formula_sum        'Al1.27 Ca1 Cu0.83'
_cod_database_code               1540754