LMucko/crystallography-open-database huggingface dataset:
High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 1 atm
Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.; Mineralogical Journal 13 (1986) 202–211; doi:

data_1544891
_publ_section_title
;
 High pressure compressibilities of pyrite and cattierite Sample: FeS2 at
 1 atm
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              202
_journal_page_last               211
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Fe S2'
_chemical_name_common            FeS2
_chemical_name_mineral           'pyrite at 1 atm'
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4170(1)
_cell_length_b                   5.4170(1)
_cell_length_c                   5.4170(1)
_cell_volume                     158.956(5)
_cod_data_source_file            FeS2-1atm.cif
_cod_data_source_block           FeS2-1atm
_cod_database_code               1544891
High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 3.1 GPa
Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.; Mineralogical Journal 13 (1986) 202–211; doi:

data_1544892
_publ_section_title
;
 High pressure compressibilities of pyrite and cattierite Sample: FeS2 at
 3.1 GPa
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              202
_journal_page_last               211
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Fe S2'
_chemical_name_common            FeS2
_chemical_name_mineral           'pyrite at 3.1 GPa'
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3825(5)
_cell_length_b                   5.3825(5)
_cell_length_c                   5.3825(5)
_cell_volume                     155.94(3)
_cod_data_source_file            FeS2-3.1GPa.cif
_cod_data_source_block           FeS2-3.1GPa
_cod_database_code               1544892
High pressure compressibilities of pyrite and cattierite Sample: FeS2 at 4.2 GPa
Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.; Mineralogical Journal 13 (1986) 202–211; doi:

data_1544893
_publ_section_title
;
 High pressure compressibilities of pyrite and cattierite Sample: FeS2 at
 4.2 GPa
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              202
_journal_page_last               211
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Fe S2'
_chemical_name_common            FeS2
_chemical_name_mineral           'pyrite at 4.2 GPa'
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3702(5)
_cell_length_b                   5.3702(5)
_cell_length_c                   5.3702(5)
_cell_volume                     154.87(2)
_cod_data_source_file            FeS2-4.2GPa.cif
_cod_data_source_block           FeS2-4.2GPa
_cod_database_code               1544893
High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1 atm
Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.; Mineralogical Journal 13 (1986) 202–211; doi:

data_1544894
_publ_section_title
;
 High pressure compressibilities of pyrite and cattierite Sample: CoS2 at
 1 atm
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              202
_journal_page_last               211
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Co S2'
_chemical_name_common            CoS2
_chemical_name_mineral           'cattierite at 1 atm'
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5348(4)
_cell_length_b                   5.5348(4)
_cell_length_c                   5.5348(4)
_cell_volume                     169.55(2)
_cod_data_source_file            CoS2-1atm.cif
_cod_data_source_block           CoS2-1atm
_cod_database_code               1544894
High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 1.9 GPa
Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.; Mineralogical Journal 13 (1986) 202–211; doi:

data_1544895
_publ_section_title
;
 High pressure compressibilities of pyrite and cattierite Sample: CoS2 at
 1.9 GPa
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              202
_journal_page_last               211
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Co S2'
_chemical_name_common            CoS2
_chemical_name_mineral           'cattierite at 1.9 GPa'
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5068(3)
_cell_length_b                   5.5068(3)
_cell_length_c                   5.5068(3)
_cell_volume                     166.993(16)
_cod_data_source_file            CoS2-1.9GPa.cif
_cod_data_source_block           CoS2-1.9GPa
_cod_database_code               1544895
High pressure compressibilities of pyrite and cattierite Sample: CoS2 at 3.6 GPa
Fujii, T.; Yoshida, A.; Tanaka, K.; Marumo, F.; Noda, Y.; Mineralogical Journal 13 (1986) 202–211; doi:

data_1544896
_publ_section_title
;
 High pressure compressibilities of pyrite and cattierite Sample: CoS2 at
 3.6 GPa
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              202
_journal_page_last               211
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Co S2'
_chemical_name_common            CoS2
_chemical_name_mineral           'cattierite at 3.6 GPa'
_space_group_IT_number           205
_space_group_name_H-M_alt        'P a -3'
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4799(4)
_cell_length_b                   5.4799(4)
_cell_length_c                   5.4799(4)
_cell_volume                     164.56(2)
_cod_data_source_file            CoS2-3.6GPa.cif
_cod_data_source_block           CoS2-3.6GPa
_cod_database_code               1544896
The crystal structure of a new manganese dioxide (Rb0.27MnO2) with a giant tunnel
Tamada, O.; Yamamoto, N.; Mineralogical Journal 13 (1986) 130–140; doi:

data_1544897
_publ_section_title
;
 The crystal structure of a new manganese dioxide (Rb0.27MnO2) with a
 giant tunnel
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              130
_journal_page_last               140
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Mn O2 Rb0.27'
_chemical_name_common            Rb0.27MnO2
_chemical_name_mineral           Rb0.27MnO2
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-A 2y'
_space_group_name_H-M_alt        'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.4(2)
_cell_angle_gamma                90
_cell_formula_units_Z            14
_cell_length_a                   15.04(2)
_cell_length_b                   2.886(2)
_cell_length_c                   14.64(2)
_cell_volume                     634.9(13)
_cod_data_source_file            Rb0.27MnO2.cif
_cod_data_source_block           Rb0.27MnO2
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-22
;
_cod_original_sg_symbol_H-M      'A 2/m'
_cod_original_formula_sum        'Rb0.27 Mn O2'
_cod_database_code               1544897
The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation of the cation site-populations and of the hydroxyl groups
Yoshiasa, A.; Matsumoto, T.; Mineralogical Journal 13 (1986) 1–12; doi:

data_1544898
_publ_section_title
;
 The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation
 of the cation site-populations and of the hydroxyl groups
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              1
_journal_page_last               12
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum
'Al8.9 Ca18.6 Fe1.4 H2 Mg2.1 Mn0.3 O73 Si18.2'
_chemical_name_common
Ca19(Fe,Mn)(OH)2(Mg,Al)8Al4(OH)8(SiO4)19(Si2O7)4
_chemical_name_mineral           'natural vesuvianite'
_space_group_IT_number           126
_space_group_name_H-M_alt        'P 4/n n c'
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.561(8)
_cell_length_b                   15.561(8)
_cell_length_c                   11.777(7)
_cell_volume                     2852(3)
_cod_data_source_file            vesuvianite.cif
_cod_data_source_block           olivine-Happo-One
_cod_depositor_comments          'Corrected author names.'
_cod_original_formula_sum
'Ca18.6 Mn0.3 Fe1.4 Al8.9 Mg2.1 Si18.2 O73 H2'
_cod_database_code               1544898
The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation of the cation site-populations and of the hydroxyl groups Sample: reanalyzed data of Coda et al. (1970)
Yoshiasa, A.; Matsumoto, T.; Mineralogical Journal 13 (1986) 1–12; doi:

data_1544899
_publ_section_title
;
 The crystal structure of vesuvianite from Nakatatsu mine: reinvestigation
 of the cation site-populations and of the hydroxyl groups Sample:
 reanalyzed data of Coda et al. (1970)
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              1
_journal_page_last               12
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum
'Al8.9 Ca18.6 Fe1.4 H2 Mg2.1 Mn0.3 O73 Si18.2'
_chemical_name_common
Ca19(Fe,Mn)(OH)2(Mg,Al)8Al4(OH)8(SiO4)19(Si2O7)4
_chemical_name_mineral           'natural vesuvianite'
_space_group_IT_number           126
_space_group_name_H-M_alt        'P 4/n n c'
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.565
_cell_length_b                   15.565
_cell_length_c                   11.816
_cell_volume                     2862.653
_cod_data_source_file            vesuvianite2.cif
_cod_data_source_block           vesuvianite
_cod_original_formula_sum
'Ca18.6 Mn0.3 Fe1.4 Al8.9 Mg2.1 Si18.2 O73 H2'
_cod_database_code               1544899
Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 2.2 GPa
Kogure, T.; Takeuchi, Y.; Mineralogical Journal 13 (1986) 22–27; doi:

data_1544900
_publ_section_title
;
 Compressibility of the BeO4 tetrahedra in the crystal structure of
 phenacite Sample: 2.2 GPa
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              22
_journal_page_last               27
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Be2 O4 Si'
_chemical_name_common            Be2SiO4
_chemical_name_mineral           'phenacite at 2.2 GPa'
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   12.415(3)
_cell_length_b                   12.415(3)
_cell_length_c                   8.215(1)
_cell_volume                     1096.6(4)
_cod_data_source_file            phenacite-2.2GPa.cif
_cod_data_source_block           phenacite-2.2GPa
_cod_original_formula_sum        'Be2 Si O4'
_cod_database_code               1544900
Compressibility of the BeO4 tetrahedra in the crystal structure of phenacite Sample: 3.2 GPa
Kogure, T.; Takeuchi, Y.; Mineralogical Journal 13 (1986) 22–27; doi:

data_1544901
_publ_section_title
;
 Compressibility of the BeO4 tetrahedra in the crystal structure of
 phenacite Sample: 3.2 GPa
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              22
_journal_page_last               27
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Be2 O4 Si'
_chemical_name_common            Be2SiO4
_chemical_name_mineral           'phenacite at 3.2 GPa'
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   12.391(3)
_cell_length_b                   12.391(3)
_cell_length_c                   8.200(1)
_cell_volume                     1090.3(4)
_cod_data_source_file            phenacite-3.2GPa.cif
_cod_data_source_block           phenacite-3.2GPa
_cod_original_formula_sum        'Be2 Si O4'
_cod_database_code               1544901
Thermal stability of clinoptilolite: the crystal structure at 350C
Kudoh, Y.; Takeuchi, Y.; Mineralogical Journal 11 (1983) 392–406; doi:

data_1544902
_publ_section_title
;
 Thermal stability of clinoptilolite: the crystal structure at 350C
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              392
_journal_page_last               406
_journal_volume                  11
_journal_year                    1983
_chemical_formula_sum
'Al6.33 Ca1.16 H20.1 K1.68 Mg0.25 Na1.8 O92.1 Si29.81'
_chemical_name_common            Ca1.16Na1.8K1.68Mg0.25Al6.33Si29.81O72*20.1H2O
_chemical_name_mineral           'clinoptilolite at 350 C'
_space_group_IT_number           2
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.21(5)
_cell_angle_beta                 116.76(5)
_cell_angle_gamma                90.19(5)
_cell_formula_units_Z            1
_cell_length_a                   17.698(15)
_cell_length_b                   17.511(8)
_cell_length_c                   7.392(5)
_cell_volume                     2045(3)
_cod_data_source_file            clinoptilolit-350C.cif
_cod_data_source_block           clinoptilolote
_cod_original_formula_sum
'Ca1.16 Na1.8 K1.68 Mg0.25 Al6.33 Si29.81 O92.1 H20.1'
_cod_database_code               1544902
Time-of-flight neutron diffraction study of Li3N at high temperature Sample: 20 C
Kawada, I; Isobe, M.; Okamura, F.P.; Watanabe, H.; Ohsumi, K.; Horiuchi, H.; Sato, T.; Ishii, T.; Mineralogical Journal 13 (1986) 28–33; doi:

data_1544904
_publ_section_title
;
 Time-of-flight neutron diffraction study of Li3N at high temperature
 Sample: 20 C
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              28
_journal_page_last               33
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Li3 N'
_chemical_name_common            Li3N
_chemical_name_mineral           'Li3N at 20 C'
_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            1
_cell_length_a                   3.652(3)
_cell_length_b                   3.652(3)
_cell_length_c                   3.866(2)
_cell_volume                     44.65(6)
_cod_data_source_file            Li3N-RT.cif
_cod_data_source_block           Li3N-20C
_cod_database_code               1544904
Time-of-flight neutron diffraction study of Li3N at high temperature Sample: 400 C
Kawada, I; Isobe, M.; Okamura, F.P.; Watanabe, H.; Ohsumi, K.; Horiuchi, H.; Sato, T.; Ishii, T.; Mineralogical Journal 13 (1986) 28–33; doi:

data_1544905
_publ_section_title
;
 Time-of-flight neutron diffraction study of Li3N at high temperature
 Sample: 400 C
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              28
_journal_page_last               33
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'Li3 N'
_chemical_name_common            Li3N
_chemical_name_mineral           'Li3N at 400 C'
_space_group_IT_number           191
_space_group_name_H-M_alt        'P 6/m m m'
_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            1
_cell_length_a                   3.698(4)
_cell_length_b                   3.698(4)
_cell_length_c                   3.888(3)
_cell_volume                     46.05(8)
_cod_data_source_file            Li3N-400C.cif
_cod_data_source_block           Li3N-400C
_cod_database_code               1544905
The Crystal Structure of Thorium Tetraiodide
Zalkin, Allan; Forrester, J. D.; Templeton, David H.; Inorganic Chemistry 3 (1964) 639–644; doi:10.1021/ic50015a007

data_4344926
_publ_section_title
;
 The Crystal Structure of Thorium Tetraiodide
;
_journal_issue                   5
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              639
_journal_page_last               644
_journal_paper_doi               10.1021/ic50015a007
_journal_volume                  3
_journal_year                    1964
_chemical_formula_sum            'I4 Th'
_chemical_name_systematic        'Thorium(IV) Iodide'
_space_group_IT_number           14
_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                 98.68(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.216(7)
_cell_length_b                   8.068(6)
_cell_length_c                   7.766(6)
_cell_volume                     818.6(10)
_cod_data_source_file            1964_Zalkin_639.cif
_cod_data_source_block           thorium
_cod_original_cell_volume        819
_cod_database_code               4344926
Topotactic thermal-transformation of diaspore to corundum Sample: no heat treatment
Iwai, S.; Yamamoto, H.; Morikawa, H.; Isobe, M.; Mineralogical Journal 7 (1973) 137–158; doi:

data_1544906
_publ_section_title
;
 Topotactic thermal-transformation of diaspore to corundum Sample: no heat
 treatment
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              137
_journal_page_last               158
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'Al H O2'
_chemical_name_common            AlOOH
_chemical_name_mineral           'natural diaspore'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P b n m'
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.3992(2)
_cell_length_b                   9.4214(7)
_cell_length_c                   2.8446(2)
_cell_volume                     117.899(13)
_cod_data_source_file            diaspore.cif
_cod_data_source_block           diaspore
_cod_database_code               1544906
The crystal structure of ganophyllite; monoclinic subcell
Kato, T.; Mineralogical Journal 10 (1980) 1–13; doi:

data_1544907
_publ_section_title
;
 The crystal structure of ganophyllite; monoclinic subcell
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  10
_journal_year                    1980
_chemical_formula_sum            'Al2.5 Ca0.7 K0.17 Mn7.5 Na0.06 O32 Si9.8'
_chemical_name_common            (K,Na,Ca)0.96Mn6(Si,Al)12(O,OH)32*nH2O
_chemical_name_mineral           'ganophyllite: monoclinic subcell'
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.96000
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.53400
_cell_length_b                   13.56500
_cell_length_c                   25.09000
_cell_volume                     1878.977
_cod_data_source_file            ganophyllite.cif
_cod_data_source_block           ganophyllite
_cod_original_formula_sum        'Si9.8 Al2.5 Mn7.5 Ca0.7 Na0.06 K0.17 O32'
_cod_database_code               1544907
An X-ray single crystal study of asymmetric thermal vibrations and the positional disorder of atoms in elbaite Refinement type: harmonic
Kihara, K.; Hirata, H.; Ida, A.; Okudera, H.; Morishita, T.; Journal of Mineralogical and Petrological Sciences 102 (2007) 115–126; doi:

data_1544908
_publ_section_title
;
 An X-ray single crystal study of asymmetric thermal vibrations and the
 positional disorder of atoms in elbaite Refinement type: harmonic
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              115
_journal_page_last               126
_journal_volume                  102
_journal_year                    2007
_chemical_formula_sum
'Al7.2 B3 Ca0.09 F0.72 H3 K0.06 Na0.64 O30 Si6'
_chemical_name_common
(Na0.64_0.264)(Al0.415Li0.458)3Al6(BO3)3Si6O18{(OH)0.75F0.179}4
_chemical_name_mineral           elbaite
_space_group_crystal_system      trigonal
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.874(3)
_cell_length_b                   15.874(3)
_cell_length_c                   7.116(3)
_cell_volume                     1552.9(8)
_cod_data_source_file            elbaite-normal-harmonic.cif
_cod_data_source_block           elbaite
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-04
;
_cod_original_formula_sum
'Na0.64 Ca0.09 K0.06 Al7.2 Si6 B3 O30 H3 F0.72'
_cod_database_code               1544908