LMucko/crystallography-open-database huggingface dataset:
Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy
Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau; CrystEngComm 12 (2010) 3318–3326; doi:10.1039/c001754j

data_7217893
_publ_section_title
;
 Investigation of the hydroxyapatite obtained as hydrolysis product of
 \a-tricalcium phosphate by transmission electron microscopy
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3318
_journal_page_last               3326
_journal_paper_doi               10.1039/c001754j
_journal_volume                  12
_journal_year                    2010
_chemical_formula_structural     'Ca8 (H P O4)2 (P O4)4 (H2 O)5'
_chemical_formula_sum            'Ca8 H12 O29 P6'
_chemical_name_systematic
'Octacalcium bis(hydrogenphosphate) tetrakis(phosphate) pentahydrate'
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             1989-12-04
_cell_angle_alpha                90.15(2)
_cell_angle_beta                 92.54(2)
_cell_angle_gamma                108.65(1)
_cell_formula_units_Z            2.000
_cell_length_a                   19.692(4)
_cell_length_b                   9.523(2)
_cell_length_c                   6.835(2)
_cell_volume                     1213.1(5)
_refine_ls_R_factor_all          0.0541
_cod_data_source_file            c001754j.txt
_cod_data_source_block           65347-ICSD
_cod_original_cell_volume        1213.0607
_cod_original_formula_sum        'H12 Ca8 O29 P6'
_cod_database_code               7217893
Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy
Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau; CrystEngComm 12 (2010) 3318–3326; doi:10.1039/c001754j

data_7217894
_publ_section_title
;
 Investigation of the hydroxyapatite obtained as hydrolysis product of
 \a-tricalcium phosphate by transmission electron microscopy
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3318
_journal_page_last               3326
_journal_paper_doi               10.1039/c001754j
_journal_volume                  12
_journal_year                    2010
_chemical_formula_structural     'Ca10.084 (P O4)5.94 (O H)3.39'
_chemical_formula_sum            'Ca10.084 H3.39 O27.15 P5.94'
_chemical_name_systematic
'Calcium phosphate(V) hydroxide (10.08/5.9/2.32)'
_space_group_IT_number           176
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_audit_creation_date             2000-12-16
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            1.000
_cell_length_a                   9.4232(2)
_cell_length_b                   9.4232(2)
_cell_length_c                   6.8833(2)
_cell_volume                     529.33(2)
_refine_ls_R_factor_all          0.0604
_cod_data_source_file            c001754j.txt
_cod_data_source_block           87671-ICSD
_cod_original_cell_volume        529.3308
_cod_original_formula_sum        'H3.39 Ca10.084 O27.15 P5.94'
_cod_database_code               7217894
Polymorphism in 2-x-adamantane derivatives (x = cl, br).
Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise; The journal of physical chemistry. B 118 (2014) 9595–9603; doi:10.1021/jp505280d

data_1517496
_publ_section_title
;
 Polymorphism in 2-x-adamantane derivatives (x = cl, br).
;
_journal_issue                   32
_journal_name_full               'The journal of physical chemistry. B'
_journal_page_first              9595
_journal_page_last               9603
_journal_paper_doi               10.1021/jp505280d
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C10 H15 Cl'
_chemical_formula_weight         170.67
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2013-02-05
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                91.016(17)
_cell_angle_beta                 90.85(2)
_cell_angle_gamma                115.238(13)
_cell_formula_units_Z            2
_cell_length_a                   6.4681(15)
_cell_length_b                   6.7071(14)
_cell_length_c                   11.012(2)
_cell_measurement_temperature    100
_cell_volume                     431.92(16)
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  'Inel CPS120'
_diffrn_radiation_monochromator  'curved quartz'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.540562
_exptl_crystal_density_diffrn    1.312
_cod_data_source_file            jp505280d_si_003.cif
_cod_data_source_block           'global_2ClAd100K'
_cod_original_cell_volume        431.93(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1517496
Polymorphism in 2-x-adamantane derivatives (x = cl, br).
Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise; The journal of physical chemistry. B 118 (2014) 9595–9603; doi:10.1021/jp505280d

data_1517497
_publ_section_title
;
 Polymorphism in 2-x-adamantane derivatives (x = cl, br).
;
_journal_issue                   32
_journal_name_full               'The journal of physical chemistry. B'
_journal_page_first              9595
_journal_page_last               9603
_journal_paper_doi               10.1021/jp505280d
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C10 H15 Br'
_chemical_formula_weight         215.12
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             2013-02-15
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   6.5912(7)
_cell_length_b                   8.2254(9)
_cell_length_c                   16.8717(15)
_cell_measurement_temperature    260
_cell_volume                     914.70(16)
_diffrn_ambient_temperature      260
_diffrn_measurement_device_type  'Inel CPS120'
_diffrn_radiation_monochromator  'curved quartz'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.540562
_exptl_crystal_density_diffrn    1.562
_cod_data_source_file            jp505280d_si_002.cif
_cod_data_source_block           'global_Rietveld260K'
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               1517497
Polymorphism in 2-x-adamantane derivatives (x = cl, br).
Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise; The journal of physical chemistry. B 118 (2014) 9595–9603; doi:10.1021/jp505280d

data_1517498
_publ_section_title
;
 Polymorphism in 2-x-adamantane derivatives (x = cl, br).
;
_journal_issue                   32
_journal_name_full               'The journal of physical chemistry. B'
_journal_page_first              9595
_journal_page_last               9603
_journal_paper_doi               10.1021/jp505280d
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C10 H15 Cl'
_chemical_formula_weight         170.67
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2012-12-05
_audit_creation_method           'Materials Studio'
_cell_angle_alpha                90.0000
_cell_angle_beta                 118.211(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   25.474(5)
_cell_length_b                   6.6142(8)
_cell_length_c                   11.9851(17)
_cell_measurement_temperature    230
_cell_volume                     1779.5(5)
_diffrn_ambient_temperature      230
_diffrn_measurement_device_type  'Inel CPS120'
_diffrn_radiation_monochromator  'curved quartz'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.540562
_exptl_crystal_density_diffrn    1.274
_cod_data_source_file            jp505280d_si_004.cif
_cod_data_source_block           'global_Rietveld230K'
_cod_original_sg_symbol_H-M      C2/C
_cod_database_code               1517498
Structure and stability of two polymorphs of creatine and its monohydrate
Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.; CrystEngComm 16 (2014) 8197–; doi:10.1039/C4CE00508B

data_7217923
_publ_section_title
;
 Structure and stability of two polymorphs of creatine and its monohydrate
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              8197
_journal_paper_doi               10.1039/C4CE00508B
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C4 H9 N3 O2'
_chemical_formula_sum            'C4 H9 N3 O2'
_chemical_formula_weight         131.14
_chemical_name_common
;            
Creatine form I
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9450(2)
_cell_length_b                   9.5273(1)
_cell_length_c                   5.3438(1)
_cell_measurement_temperature    298(2)
_cell_volume                     608.144(17)
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_preparation
;
Creatine Form I was prepared by slurrying an  excess ofcreatine anhydrous in
isoamyl alcohol for one week with cycle of temperature between room temperature
and 383K.The excess solid obtained was creatine form I.  
the powder produced was loaded in a 0.7 mm borosilicate glass capillary,
mounted on Bruker AXS D8 X-ray powder diffractometer equipped with 
primary monochromator (CuKa1, l = 1.54056A) and a 
Lynxeye position sensitive detector. Collection was made at room temperature.   
;
_pd_proc_ls_prof_R_factor        0.034
_pd_proc_ls_prof_wR_expected     0.020
_pd_proc_ls_prof_wR_factor       0.041
_refine_ls_goodness_of_fit_all   2.099
_cod_duplicate_entry             7215662
_cod_data_source_file            c4ce00508b2.cif
_cod_data_source_block           creatine_form_I
_cod_original_cell_volume        608.14(1)
_cod_original_sg_symbol_H-M      Pn21a
_cod_database_code               7217923
Structure and stability of two polymorphs of creatine and its monohydrate
Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.; CrystEngComm 16 (2014) 8197–; doi:10.1039/C4CE00508B

data_7217924
_publ_section_title
;
 Structure and stability of two polymorphs of creatine and its monohydrate
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              8197
_journal_paper_doi               10.1039/C4CE00508B
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C4 H9 N3 O2'
_chemical_formula_sum            'C4 H9 N3 O2'
_chemical_formula_weight         131.14
_chemical_name_common
;            
Creatine form II
;
_space_group_IT_number           14
_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                 105.723(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8450(3)
_cell_length_b                   5.8373(2)
_cell_length_c                   11.6698(3)
_cell_measurement_temperature    298(2)
_cell_volume                     645.55(3)
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.54056
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.349
_exptl_crystal_preparation
;
Creatine Form II was prepared by slurrying an  excess of creatine anhydrous in
butylacetate for two week with cycles of temperature between room temperature
and 383K.The excess solid obtained was creatine form II.  
the powder produced was loaded in a 0.7 mm borosilicate glass capillary,
mounted on Bruker AXS D8 X-ray powder diffractometer equipped with 
primary monochromator (CuKa1, l = 1.54056A) and a 
Lynxeye position sensitive detector. Collection was made at room temperature.   
;
_pd_proc_ls_prof_R_factor        0.037
_pd_proc_ls_prof_wR_expected     0.011
_pd_proc_ls_prof_wR_factor       0.040
_refine_ls_goodness_of_fit_all   3.538
_cod_duplicate_entry             7215663
_cod_data_source_file            c4ce00508b2.cif
_cod_data_source_block           creatine_form_II
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7217924
Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework
Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert; Crystal Growth & Design 14 (2014) 5310–; doi:10.1021/cg501189n

data_4511941
_publ_section_title
;
 Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building
 Units in a MIL-53 Type Framework
;
_journal_issue                   10
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5310
_journal_paper_doi               10.1021/cg501189n
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C8 In N O8'
_chemical_formula_sum            'C8 In N O8'
_chemical_formula_weight         352.9063
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.60049(12)
_cell_length_b                   9.03411(12)
_cell_length_c                   11.17851(15)
_cell_measurement_temperature    100
_cell_volume                     969.53(2)
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  'P08, PETRA III, DESY, Hamburg, Germany'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.827164
_exptl_crystal_density_diffrn    2.41772
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'Not measured'
_pd_char_colour                  white
_pd_meas_number_of_points        8099
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        44.49018
_pd_proc_2theta_range_min        4.00018
_pd_proc_ls_prof_R_factor        0.0493
_pd_proc_ls_prof_wR_expected     0.0592
_pd_proc_ls_prof_wR_factor       0.0678
_refine_ls_goodness_of_fit_all   1.14400
_refine_ls_number_parameters     50
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            0.0355
_refine_ls_shift/su_max          0.001
_reflns_d_resolution_high        6.57920
_reflns_d_resolution_low         1.08102
_reflns_number_total             404
_cod_data_source_file            cg501189n_si_005.cif
_cod_data_source_block           InPTC
_cod_depositor_comments
;Adding full bibliography for 4511941--4511944.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'Not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4511941
Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework
Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert; Crystal Growth & Design 14 (2014) 5310–; doi:10.1021/cg501189n

data_4511944
_publ_section_title
;
 Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building
 Units in a MIL-53 Type Framework
;
_journal_issue                   10
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5310
_journal_paper_doi               10.1021/cg501189n
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C16 Al3 N2 O17, 4(O)'
_chemical_formula_sum            'C16 Al3 N2 O21'
_chemical_formula_weight         637.118714
_space_group_IT_number           15
_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                 109.266(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   37.1330(13)
_cell_length_b                   11.5278(4)
_cell_length_c                   6.51553(18)
_cell_measurement_temperature    100
_cell_volume                     2632.85(16)
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  'P08, PETRA III, DESY, Hamburg, Germany'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.827164
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'Not measured'
_pd_char_colour                  white
_pd_meas_number_of_points        7901
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        41.00018
_pd_proc_2theta_range_min        1.50018
_pd_proc_ls_prof_R_factor        0.0492
_pd_proc_ls_prof_wR_expected     0.0620
_pd_proc_ls_prof_wR_factor       0.0680
_refine_ls_goodness_of_fit_all   1.09523
_refine_ls_number_parameters     84
_refine_ls_number_restraints     37
_refine_ls_R_I_factor            0.0300
_refine_ls_shift/su_max          0.001
_reflns_d_resolution_high        17.52673
_reflns_d_resolution_low         1.16745
_reflns_number_total             870
_cod_data_source_file            cg501189n_si_002.cif
_cod_data_source_block           AlPTC1
_cod_depositor_comments
;Adding full bibliography for 4511941--4511944.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'Not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2632.85(15)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4511944
Crystal structure and luminescence property of a novel blue-emitting Cs2xCa2xGd2(1-x)(PO4)2:Eu(2+) (x = 0.36) phosphor.
Geng, Kang; Xia, Zhiguo; Molokeev, Maxim S.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 14092–14098; doi:10.1039/c4dt01578a

data_7032460
_publ_section_title
;
 Crystal structure and luminescence property of a novel blue-emitting
 Cs2xCa2xGd2(1-x)(PO4)2:Eu(2+) (x = 0.36) phosphor.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14092
_journal_page_last               14098
_journal_paper_doi               10.1039/c4dt01578a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'Gd1.92 O12 P3, 0.36(Cs3), 1.08(Ca)'
_chemical_formula_sum            'Ca1.08 Cs1.08 Gd1.92 O12 P3'
_chemical_formula_weight         774.13
_space_group_IT_number           180
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.06272(35)
_cell_length_b                   7.06272(35)
_cell_length_c                   6.32218(33)
_cell_measurement_temperature    300
_cell_volume                     273.11(2)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    111.679
_exptl_crystal_density_diffrn    4.70376
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.0223
_pd_meas_2theta_range_max        119.9946
_pd_meas_2theta_range_min        5.0072
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Prefered orientation on (0 2 0) plane
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        3.312
_pd_proc_ls_prof_wR_expected     2.279
_pd_proc_ls_prof_wR_factor       4.860
_pd_proc_number_of_points        5156.38565
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.133
_refine_ls_R_I_factor            1.379
_refine_ls_shift/su_max          0.01000
_cod_duplicate_entry             7032052
_cod_data_source_file            c4dt01578a1.cif
_cod_data_source_block           a
_cod_original_cell_volume        273.112(31)
_cod_original_sg_symbol_Hall
;
P 62 2c (0 0 1)
;
_cod_original_sg_symbol_H-M      P6222
_cod_original_formula_sum
;
Ca1.08 Cs1.08 Gd1.92 O12 P3
;
_cod_database_code               7032460
Hexagonal Na(1.5) Y(1.5) F6 at high pressures
Grzechnik, A.; Bouvier, P.; Mezouar, M.; Mathews, M.D.; Tyagi, A.K.; Koehler, J.; Journal of Solid State Chemistry 165 (2002) 159–164; doi:

data_1517672
_publ_section_title
;
 Hexagonal Na(1.5) Y(1.5) F6 at high pressures
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              159
_journal_page_last               164
_journal_volume                  165
_journal_year                    2002
_chemical_formula_structural     'Na Y (Na0.5 Y0.5) F6'
_chemical_formula_sum            'F6 Na1.5 Y1.5'
_chemical_name_systematic
;
Sodium Yttrium Fluoride (1.5/1.5/6)
;
_space_group_IT_number           174
_symmetry_Int_Tables_number      174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.9148(1)
_cell_length_b                   5.9148(1)
_cell_length_c                   3.4960(1)
_cell_volume                     105.921(4)
_cod_data_source_file            Na1_5Y1_5F6_P_6_DC252.cif
_cod_data_source_block           chateigner
_cod_original_cell_volume        105.92
_cod_database_code               1517672