LMucko/crystallography-open-database huggingface dataset:
Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms
Fukuoka, H.; Imoto, H.; Saito, T.; Journal of Solid State Chemistry 119 (1995) 98–106; doi:

data_1517732
_publ_section_title
;
 Preparation of cubic niobium pyrophosphate containing Nb(IV) and
 topotactic extraction of phosphorus atoms
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              98
_journal_page_last               106
_journal_volume                  119
_journal_year                    1995
_chemical_formula_structural     'Nb (P1.92 O7)'
_chemical_formula_sum            'Nb O7 P1.92'
_chemical_name_systematic
;
Niobium Phosphorus Oxide (1/1.92/7)
;
_space_group_IT_number           205
_symmetry_Int_Tables_number      205
_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                   8.0807(4)
_cell_length_b                   8.0807(4)
_cell_length_c                   8.0807(4)
_cell_volume                     527.65(5)
_cod_data_source_file            NbP1_92O7_Ia_3_DC278.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        527.65
_cod_original_formula_sum        'Nb1 O7 P1.92'
_cod_database_code               1517732
Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms
Fukuoka, H.; Imoto, H.; Saito, T.; Journal of Solid State Chemistry 119 (1995) 98–106; doi:

data_1517733
_publ_section_title
;
 Preparation of cubic niobium pyrophosphate containing Nb(IV) and
 topotactic extraction of phosphorus atoms
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              98
_journal_page_last               106
_journal_volume                  119
_journal_year                    1995
_chemical_formula_structural     'Nb (P1.81 O7)'
_chemical_formula_sum            'Nb O7 P1.81'
_chemical_name_systematic
;
Niobium Phosphorus Oxide (1/1.81/7)
;
_space_group_IT_number           205
_symmetry_Int_Tables_number      205
_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                   8.0705(2)
_cell_length_b                   8.0705(2)
_cell_length_c                   8.0705(2)
_cell_volume                     525.66(2)
_cod_data_source_file            NbP1_81O7_Pa_3_DC279.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        525.66
_cod_original_formula_sum        'Nb1 O7 P1.81'
_cod_database_code               1517733
Preparation of cubic niobium pyrophosphate containing Nb(IV) and topotactic extraction of phosphorus atoms
Fukuoka, H.; Imoto, H.; Saito, T.; Journal of Solid State Chemistry 119 (1995) 98–106; doi:

data_1517734
_publ_section_title
;
 Preparation of cubic niobium pyrophosphate containing Nb(IV) and
 topotactic extraction of phosphorus atoms
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              98
_journal_page_last               106
_journal_volume                  119
_journal_year                    1995
_chemical_formula_structural     'Nb (P1.8 O7)'
_chemical_formula_sum            'Nb O7 P1.8'
_chemical_name_systematic        'Niobium Phosphorus Oxide (1/1.8/7)'
_space_group_IT_number           205
_symmetry_Int_Tables_number      205
_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                   8.0896(5)
_cell_length_b                   8.0896(5)
_cell_length_c                   8.0896(5)
_cell_volume                     529.40(6)
_cod_data_source_file            NbP1_8O7_Pa_3_DC280.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        529.4
_cod_original_formula_sum        'Nb1 O7 P1.8'
_cod_database_code               1517734
Negative thermal expansion in orthorhombic Nb O P O4
Amos, T.G.; Sleight, A.W.; Journal of Solid State Chemistry 160 (2001) 230–238; doi:

data_1517735
_publ_section_title
;
 Negative thermal expansion in orthorhombic Nb O P O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              230
_journal_page_last               238
_journal_volume                  160
_journal_year                    2001
_chemical_formula_structural     '(Nb O) (P O4)'
_chemical_formula_sum            'Nb O5 P'
_chemical_name_systematic        'Oxoniobium Phosphate(V)'
_space_group_IT_number           62
_symmetry_Int_Tables_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                   11.255(1)
_cell_length_b                   5.315(1)
_cell_length_c                   6.657(1)
_cell_volume                     398.22(10)
_diffrn_ambient_temperature      598.15
_cod_data_source_file            NbPO5_Pnma_DC281.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        398.22
_cod_original_formula_sum        'Nb1 O5 P1'
_cod_database_code               1517735
Negative thermal expansion in orthorhombic Nb O P O4
Amos, T.G.; Sleight, A.W.; Journal of Solid State Chemistry 160 (2001) 230–238; doi:

data_1517736
_publ_section_title
;
 Negative thermal expansion in orthorhombic Nb O P O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              230
_journal_page_last               238
_journal_volume                  160
_journal_year                    2001
_chemical_formula_structural     '(Nb O) (P O4)'
_chemical_formula_sum            'Nb O5 P'
_chemical_name_systematic        'Oxoniobium Phosphate(V)'
_space_group_IT_number           62
_symmetry_Int_Tables_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                   11.253(1)
_cell_length_b                   5.316(1)
_cell_length_c                   6.661(1)
_cell_volume                     398.47(10)
_diffrn_ambient_temperature      673.15
_cod_data_source_file            NbPO5_Pnma_DC282.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        398.47
_cod_original_formula_sum        'Nb1 O5 P1'
_cod_database_code               1517736
New phosphate Fe0.5 Nb1.5 (P O4)3 with an electrically neutral framework. Synthesis and crystal structure
Trubach, I.G.; Orlova, A.I.; Beskrovnyi, A.I.; Koryttseva, A.K.; Zharinova, M.V.; Kurazhkovskaya, V.S.; Lipatova, E.V.; Crystallography Reports 49 (2004) 396–400; doi:

data_1517737
_publ_section_title
;
 New phosphate Fe0.5 Nb1.5 (P O4)3 with an electrically neutral framework.
 Synthesis and crystal structure
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              396
_journal_page_last               400
_journal_volume                  49
_journal_year                    2004
_chemical_formula_structural     'Nb O (P O4)'
_chemical_formula_sum            'Nb O5 P'
_chemical_name_systematic        'Niobium Oxide Phosphate(V)'
_space_group_IT_number           85
_symmetry_Int_Tables_number      85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   6.4048(4)
_cell_length_b                   6.4048(4)
_cell_length_c                   4.1087(2)
_cell_volume                     168.545(17)
_cod_data_source_file            NbPO5_P4_n_DC283.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        168.54
_cod_original_sg_symbol_H-M      'P 4/n Z'
_cod_original_formula_sum        'Nb1 O5 P1'
_cod_database_code               1517737
Transformation of a layered perovskite to a defect perovskite via cooperative Li-insertion and O/N substitution.
Kim, Jung-Mi; Kim, Young-Il; Park, Chee-Sung; Park, Cheol-Hee; Dalton transactions (Cambridge, England : 2003) 43 (2014) 16830–16837; doi:10.1039/c4dt02335h

data_7032563
_publ_section_title
;
 Transformation of a layered perovskite to a defect perovskite via
 cooperative Li-insertion and O/N substitution.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16830
_journal_page_last               16837
_journal_paper_doi               10.1039/c4dt02335h
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'Li1.08 N2.32 O7.28 Sr2.92 Ta2.92'
_chemical_formula_weight         940.68
_chemical_name_systematic        ' ?'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_audit_creation_date             2014-07-31T14:58
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2014-07-31T14:58  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   5.69071(15)
_cell_length_b                   5.69071
_cell_length_c                   8.0673(5)
_cell_volume                     261.253(18)
_computing_structure_refinement  GSAS
_pd_block_id
2014-07-31T14:58|LI03_ND_CIF_phase1|Young-Il_Kim||
_pd_phase_name                   I4/mcm
_refine_ls_goodness_of_fit_all   2.77
_refine_ls_matrix_type           full
_refine_ls_number_parameters     29
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          15.37
_refine_ls_shift/su_mean         0.55
_cod_data_source_file            c4dt02335h3.cif
_cod_data_source_block           LI03_ND_CIF_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (118
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (792
times).

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7032562--7032565.cif.
;
_cod_original_cell_volume        261.253(15)
_cod_database_code               7032563
Synthesis and characterization of Nd~2-x~Sr~x~NiO~4~
Nishijima, Motoaki; Takeda, Yasuo; Inanishi, Nobuyuki; Yamamoto, Osamu; Kanno, Ryouji; Funtai oyobi Funmatsu Yakin 38 (1991) 224–228; doi:10.2497/jjspm.38.224

data_1517786
_publ_section_title
;
 Synthesis and characterization of Nd~2-x~Sr~x~NiO~4~
;
_journal_coden_ASTM              FOFUA2
_journal_issue                   2
_journal_name_full               'Funtai oyobi Funmatsu Yakin'
_journal_page_first              224
_journal_page_last               228
_journal_paper_doi               10.2497/jjspm.38.224
_journal_volume                  38
_journal_year                    1991
_chemical_formula_structural     'Nd2 (Ni O4)'
_chemical_formula_sum            'Nd2 Ni O4'
_chemical_name_systematic        'Dineodymium Niccolate'
_space_group_IT_number           139
_symmetry_Int_Tables_number      139
_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            2
_cell_length_a                   3.854
_cell_length_b                   3.854
_cell_length_c                   12.214
_cell_volume                     181.418
_journal_article_reference       064102
_cod_data_source_file            Nd2NiO4_I4_mmm_DC284.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        181.42
_cod_original_formula_sum        'Nd2 Ni1 O4'
_cod_database_code               1517786
Electrical properties of the Sr2 Ru1-x Tix O4 solid solutions
Miwa, K.; Kagomiya, I.; Ohsato, H.; Sakai, H.; Maeda, Y.; Journal of the European Ceramic Society 27 (2007) 4287–4290; doi:10.1016/j.jeurceramsoc.2007.02.146

data_1517788
_publ_section_title
;
 Electrical properties of the Sr2 Ru1-x Tix O4 solid solutions
;
_journal_name_full
;
Journal of the European Ceramic Society
;
_journal_page_first              4287
_journal_page_last               4290
_journal_paper_doi               10.1016/j.jeurceramsoc.2007.02.146
_journal_volume                  27
_journal_year                    2007
_chemical_formula_structural     'Sr2 (Ti O4)'
_chemical_formula_sum            'O4 Sr2 Ti'
_chemical_name_systematic        'Distrontium Titanate'
_space_group_IT_number           139
_symmetry_Int_Tables_number      139
_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            2
_cell_length_a                   3.884
_cell_length_b                   3.884
_cell_length_c                   12.6
_cell_volume                     190.077
_journal_article_reference       064102
_cod_data_source_file            Sr2TiO4_I4_mmm_DC285a.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        190.08
_cod_original_formula_sum        'O4 Sr2 Ti1'
_cod_database_code               1517788
_journal_article_numberofpages   12
Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O
Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas; Crystal Growth & Design 14 (2014) 5090–; doi:10.1021/cg500707b

data_4511982
_publ_section_title
;
 Monoclinic Form of the Rhabdophane Compounds: REEPO4&#x00B7;0.667H2O
;
_journal_issue                   10
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5090
_journal_paper_doi               10.1021/cg500707b
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'O4 P Sm'
_chemical_formula_sum            'O4 P Sm'
_chemical_formula_weight         245.33
_chemical_name_systematic        ' ?'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.028(3)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            6
_cell_length_a                   12.14431(9)
_cell_length_b                   7.01776(7)
_cell_length_c                   6.34756(15)
_cell_measurement_temperature    573
_cell_volume                     540.976(14)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      573
_diffrn_radiation_type           ' 'Cu K\a'
_diffrn_radiation_wavelength     1.54056
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.014302
_pd_meas_2theta_range_max        120.00300
_pd_meas_2theta_range_min        5.08600
_pd_meas_number_of_points        8037
_pd_proc_2theta_range_inc        0.014302
_pd_proc_2theta_range_max        119.9645
_pd_proc_2theta_range_min        5.0475
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        4.5047
_pd_proc_ls_prof_wR_expected     4.1011
_pd_proc_ls_prof_wR_factor       6.1609
_pd_proc_wavelength              1.540560
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     23
_refine_ls_number_reflns         880
_refine_ls_number_restraints     9
_refine_ls_R_I_factor            11.6193
_cod_data_source_file            cg500707b_si_001.cif
_cod_data_source_block           AM1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4511981--4511982.cif.
;
_cod_original_cell_volume        540.975(14)
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4511982
_pd_proc_ls_prof_cr_factor       36.0810
_pd_proc_ls_prof_cwr_factor      21.0901
_pd_proc_ls_prof_cwr_expected    14.0389
_pd_proc_ls_prof_chi2            2.2568
_pd_proc_ls_prof_echi2           2.5841
Structure refinement of some thermally disordered dolomites
Reeder, R.J.; Wenk, H.R.; American Mineralogist 68 (1983) 769–776; doi:

data_1517795
_publ_section_title
;
 Structure refinement of some thermally disordered dolomites
;
_journal_name_full
;
American Mineralogist
;
_journal_page_first              769
_journal_page_last               776
_journal_volume                  68
_journal_year                    1983
_chemical_formula_structural     'Ca Mg (C O3)2'
_chemical_formula_sum            'C2 Ca Mg O6'
_chemical_name_mineral
;
Dolomite (quenched from 1323 K, 11 kbar)
;
_chemical_name_systematic        'Calcium Magnesium Carbonate'
_space_group_IT_number           148
_symmetry_Int_Tables_number      148
_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            3
_cell_length_a                   4.805(2)
_cell_length_b                   4.805(2)
_cell_length_c                   16.015(9)
_cell_volume                     320.2(3)
_refine_ls_R_factor_all          0.043
_cod_data_source_file            dangdan5_Dolomite.cif
_cod_data_source_block           dangdan5
_cod_original_cell_volume        320.22
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_original_formula_sum        'C2 Ca1 Mg1 O6'
_cod_database_code               1517795
Untersuchungen zur Elektronendichteverteilung im Dolomit Ca Mg (C O3)2
Effenberger, H.; Kirfel, A.; Will, G.; TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-) 31 (1983) 151–164; doi:

data_1517796
_publ_section_title
;
 Untersuchungen zur Elektronendichteverteilung im Dolomit Ca Mg (C O3)2
;
_journal_name_full
;
TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen 
(1979-)
;
_journal_page_first              151
_journal_page_last               164
_journal_volume                  31
_journal_year                    1983
_chemical_formula_structural     'Ca Mg (C O3)2'
_chemical_formula_sum            'C2 Ca Mg O6'
_chemical_name_mineral           Dolomite
_chemical_name_systematic
;
Magnesium Calcium Carbonate (.1/.9/1)
;
_space_group_IT_number           148
_symmetry_Int_Tables_number      148
_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            3
_cell_length_a                   4.808(1)
_cell_length_b                   4.808(1)
_cell_length_c                   16.0220(30)
_cell_volume                     320.76(11)
_refine_ls_R_factor_all          0.018
_cod_data_source_file            dangdan6_Dolomite.cif
_cod_data_source_block           dangdan6
_cod_original_cell_volume        320.76
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_original_formula_sum        'C2 Ca1 Mg1 O6'
_cod_database_code               1517796
Lattice-dynamical estimation of atomic displacement parameters in carbonates: Calcite and aragonite Ca C O3, dolomite Ca Mg (C O3)2, and magnesite Mg C O3
Pilati, T.; Demartin, F.; Gramaccioli, C. M.; Acta Crystallographica Section B 54 (1998) 515–523; doi:10.1107/S0108768197018181

data_2105963
_publ_section_title
;
 Lattice-dynamical estimation of atomic displacement parameters in
 carbonates: Calcite and aragonite Ca C O3, dolomite Ca Mg (C O3)2, and
 magnesite Mg C O3
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              515
_journal_page_last               523
_journal_paper_doi               10.1107/S0108768197018181
_journal_volume                  54
_journal_year                    1998
_chemical_formula_structural     'Ca Mg (C O3)2'
_chemical_formula_sum            'C2 Ca Mg O6'
_chemical_name_mineral           Dolomite
_chemical_name_systematic        'Calcium Magnesium Carbonate'
_space_group_IT_number           148
_symmetry_Int_Tables_number      148
_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            3
_cell_length_a                   4.808(1)
_cell_length_b                   4.808(1)
_cell_length_c                   16.0220(30)
_cell_volume                     320.76(11)
_refine_ls_R_factor_all          0.03
_cod_data_source_file            dangdan8.cif
_cod_data_source_block           dangdan8
_cod_depositor_comments
;
 Moving _atom_site_B_iso_or_equiv data item into the _atom_site loop
 and adding values for this data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-01-10
;
_cod_original_cell_volume        320.76
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_original_formula_sum        'C2 Ca1 Mg1 O6'
_cod_database_code               2105963
Crystal structure of dolomite
Wasastjerna, J.A.; Societas Scientiarum Fennica. Commentationes Physicomathematicae II 2 (1925) 1–14; doi:

data_1517797
_publ_section_title
;
 Crystal structure of dolomite
;
_journal_name_full
;
Societas Scientiarum Fennica. Commentationes Physicomathematicae II
;
_journal_page_first              1
_journal_page_last               14
_journal_volume                  2
_journal_year                    1925
_chemical_formula_structural     'Ca Mg (C O3)2'
_chemical_formula_sum            'C2 Ca Mg O6'
_chemical_name_mineral           Dolomite
_chemical_name_systematic        'Calcium Magnesium Carbonate'
_space_group_IT_number           148
_symmetry_Int_Tables_number      148
_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            3
_cell_length_a                   4.795
_cell_length_b                   4.795
_cell_length_c                   15.87
_cell_volume                     315.998
_cod_data_source_file            dangdan9.cif
_cod_data_source_block           dangdan2
_cod_original_cell_volume        316
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_original_formula_sum        'C2 Ca1 Mg1 O6'
_cod_database_code               1517797