LMucko/crystallography-open-database huggingface dataset:
Comparative investigations of the crystal structure and photoluminescence property of eulytite-type Ba3Eu(PO4)3 and Sr3Eu(PO4)3.
Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; Atuchin, Victor V.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 7679–7686; doi:10.1039/c4dt03887h

data_7034637
_publ_section_title
;
 Comparative investigations of the crystal structure and photoluminescence
 property of eulytite-type Ba3Eu(PO4)3 and Sr3Eu(PO4)3.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7679
_journal_page_last               7686
_journal_paper_doi               10.1039/c4dt03887h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Eu O12 P3, 3(Ba)'
_chemical_formula_sum            'Ba3 Eu O12 P3'
_chemical_formula_weight         848.87
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.479959(85)
_cell_length_b                   10.479959(85)
_cell_length_c                   10.479959(85)
_cell_measurement_temperature    300
_cell_volume                     1151.009(16)
_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    121.732
_exptl_crystal_density_diffrn    4.898513
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        7.186
_pd_proc_ls_prof_wR_expected     10.393
_pd_proc_ls_prof_wR_factor       9.400
_pd_proc_number_of_points        5750
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   0.904
_refine_ls_R_I_factor            1.75
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c4dt03887h1.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7034637--7034638.cif.'
_cod_original_cell_volume        1151.009(28)
_cod_original_sg_symbol_Hall
;
I -4bd 2c 3
;
_cod_original_sg_symbol_H-M      I-43d
_cod_original_formula_sum
;
Ba3 Eu O12 P3
;
_cod_database_code               7034637
Comparative investigations of the crystal structure and photoluminescence property of eulytite-type Ba3Eu(PO4)3 and Sr3Eu(PO4)3.
Ji, Haipeng; Huang, Zhaohui; Xia, Zhiguo; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai; Atuchin, Victor V.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 7679–7686; doi:10.1039/c4dt03887h

data_7034638
_publ_section_title
;
 Comparative investigations of the crystal structure and photoluminescence
 property of eulytite-type Ba3Eu(PO4)3 and Sr3Eu(PO4)3.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7679
_journal_page_last               7686
_journal_paper_doi               10.1039/c4dt03887h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'Eu O12 P3, 3(Sr)'
_chemical_formula_sum            'Eu O12 P3 Sr3'
_chemical_formula_weight         699.74
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.12028(15)
_cell_length_b                   10.12028(15)
_cell_length_c                   10.12028(15)
_cell_measurement_temperature    300
_cell_volume                     1036.52(3)
_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    67.452
_exptl_crystal_density_diffrn    4.484
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        120
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
no preferred orientation
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        9.476
_pd_proc_ls_prof_wR_expected     11.917
_pd_proc_ls_prof_wR_factor       13.306
_pd_proc_number_of_points        5750
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.117
_refine_ls_R_I_factor            1.66
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            c4dt03887h2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7034637--7034638.cif.'
_cod_original_cell_volume        1036.519(46)
_cod_original_sg_symbol_Hall
;
I -4bd 2c 3
;
_cod_original_sg_symbol_H-M      I-43d
_cod_original_formula_sum
;
Eu O12 P3 Sr3
;
_cod_database_code               7034638
Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2 = Cr2, Mo2, MoW and W2) compounds and investigating their metal-metal interactions using density functional theory
David W. Brogden; Jonathan H. Christian; Naresh S. Dalal; John F. Berry; Inorganica Chimica Acta 424 (2015) 241–247; doi:

data_1518915
_publ_section_title
;
 Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2 =
 Cr2, Mo2, MoW and W2) compounds and investigating their metal-metal
 interactions using density functional theory
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              241
_journal_page_last               247
_journal_volume                  424
_journal_year                    2015
_chemical_formula_sum            'C42 H36 Cl4 Cr Mo2 N12'
_chemical_formula_weight         1094.5
_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'
_cell_angle_alpha                90
_cell_angle_beta                 112.965(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.9002(6)
_cell_length_b                   16.1307(5)
_cell_length_c                   15.9245(5)
_cell_volume                     4470.2(3)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.732
_refine_ls_R_factor_gt           0.0241
_refine_ls_wR_factor_gt          0.0574
_cod_data_source_file            ICA-2015-241-247-1.cif
_cod_data_source_block           compound-1
_cod_depositor_comments
;
Atomic coordinates exclusively available from CCDC
;
_cod_original_cell_volume        20
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1518915
Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2 = Cr2, Mo2, MoW and W2) compounds and investigating their metal-metal interactions using density functional theory
David W. Brogden; Jonathan H. Christian; Naresh S. Dalal; John F. Berry; Inorganica Chimica Acta 424 (2015) 241–247; doi:

data_1518916
_publ_section_title
;
 Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2 =
 Cr2, Mo2, MoW and W2) compounds and investigating their metal-metal
 interactions using density functional theory
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              241
_journal_page_last               247
_journal_volume                  424
_journal_year                    2015
_chemical_formula_sum            'C42 H36 Cl4 Cr N12 W2'
_chemical_formula_weight         1270.3
_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'
_cell_angle_alpha                90
_cell_angle_beta                 113.560(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.8920(5)
_cell_length_b                   16.1395(4)
_cell_length_c                   15.9997(4)
_cell_volume                     4471.8(2)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_crystal_density_diffrn    1.992
_refine_ls_R_factor_gt           0.0247
_refine_ls_wR_factor_gt          0.0678
_cod_data_source_file            ICA-2015-241-247-2.cif
_cod_data_source_block           compound-1
_cod_depositor_comments
;
Atomic coordinates exclusively available from CCDC
;
_cod_original_cell_volume        20
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1518916
LiSi, a unique Zintl phase - although stable; it long evaded synthesis
Evers, J.; Oehlinger, G.; Sextl, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 773–774; doi:

data_4030885
_publ_section_title
;
 LiSi, a unique Zintl phase - although stable; it long evaded synthesis
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              773
_journal_page_last               774
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Li Si'
_chemical_formula_weight         35.0265
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.353(1)
_cell_length_b                   9.353(1)
_cell_length_c                   5.743(1)
_cell_volume                     502.39(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    9.676
_exptl_crystal_density_diffrn    1.85
_exptl_crystal_density_meas      1.83
_exptl_crystal_F_000             68
_refine_ls_number_reflns         163
_refine_ls_R_factor_gt           0.071
_refine_ls_wR_factor_gt          0.071
_cod_data_source_file            EJSSIC-1997-34-773-784-1.cif
_cod_data_source_block           LiSi
_cod_original_cell_volume        502.39(14)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4030885
LiSi, a unique Zintl phase - although stable; it long evaded synthesis
Evers, J.; Oehlinger, G.; Sextl, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 773–774; doi:

data_4030886
_publ_section_title
;
 LiSi, a unique Zintl phase - although stable; it long evaded synthesis
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              773
_journal_page_last               774
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Ge Li'
_chemical_formula_weight         79.581
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.764(3)
_cell_length_b                   9.764(3)
_cell_length_c                   5.784(3)
_cell_volume                     551.4(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    9.676
_exptl_crystal_density_diffrn    3.83
_exptl_crystal_density_meas      3.75
_exptl_crystal_F_000             140
_cod_data_source_file            EJSSIC-1997-34-773-784-2.cif
_cod_data_source_block           LiGe
_cod_depositor_comments
;
Reported from A. Gruttnet, Dissertation, Universitat Stuttgart, 1982
Thermal parameters fixed to B = 1.
;
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4030886
Phase transition and crystal structures of LiSn2(PO4)3
Morin, E.; Angenault, J.; Couturier, J. C.; Quarton, M.; He, H; Klinowski, J.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 947–958; doi:

data_4030887
_publ_section_title
;
 Phase transition and crystal structures of LiSn2(PO4)3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              947
_journal_page_last               958
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Li O12 P3 Sn2'
_chemical_formula_weight         529.275
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_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                   8.6334(7)
_cell_length_b                   8.6334(7)
_cell_length_c                   21.533(3)
_cell_volume                     1389.9(3)
_diffrn_ambient_temperature      450
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.398
_exptl_crystal_density_diffrn    3.794
_pd_proc_ls_prof_R_factor        0.065
_pd_proc_ls_prof_wR_factor       0.086
_refine_ls_number_parameters     27
_refine_ls_R_I_factor            0.046
_cod_data_source_file            EJSSIC-1997-34-947-958-1.cif
_cod_data_source_block           LiSn2(PO4)3-450K
_cod_original_cell_volume        1389.9(5)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               4030887
Phase transition and crystal structures of LiSn2(PO4)3
Morin, E.; Angenault, J.; Couturier, J. C.; Quarton, M.; He, H; Klinowski, J.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 947–958; doi:

data_4030888
_publ_section_title
;
 Phase transition and crystal structures of LiSn2(PO4)3
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              947
_journal_page_last               958
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Li O12 P3 Sn2'
_chemical_formula_weight         529.275
_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'
_cell_angle_alpha                118.116(1)
_cell_angle_beta                 90.180(1)
_cell_angle_gamma                119.681(1)
_cell_formula_units_Z            2
_cell_length_a                   8.4029(1)
_cell_length_b                   8.4408(2)
_cell_length_c                   8.8897(1)
_cell_volume                     459.566(16)
_diffrn_ambient_temperature      250
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.398
_exptl_crystal_density_diffrn    3.825
_pd_proc_ls_prof_R_factor        0.053
_pd_proc_ls_prof_wR_factor       0.070
_refine_ls_number_parameters     65
_refine_ls_R_I_factor            0.045
_cod_data_source_file            EJSSIC-1997-34-947-958-2.cif
_cod_data_source_block           LiSn2(PO4)3-250K
_cod_database_code               4030888
(NH4)[La(NH3)9]S5S : A lanthanum ammine salt of a peculiarly disordered S5 (2-) chain
Schimek, G. L.; Young, D. M.; Kolis, J. W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1037–1050; doi:

data_4030889
_publ_section_title
;
 (NH4)[La(NH3)9]S5S : A lanthanum ammine salt of a peculiarly disordered
 S5 (2-) chain
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1037
_journal_page_last               1050
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'H31 La N10 S6'
_chemical_formula_weight         502.6
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_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                   16.622(4)
_cell_length_b                   15.739(3)
_cell_length_c                   7.626(2)
_cell_volume                     1995.1(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.77
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_F_000             1016
_refine_ls_goodness_of_fit_ref   1.91
_refine_ls_number_parameters     104
_refine_ls_number_reflns         1478
_refine_ls_R_factor_gt           0.0315
_refine_ls_wR_factor_gt          0.0339
_cod_data_source_file            EJSSIC-1997-34-1037-1050.cif
_cod_data_source_block           N10H31S6La
_cod_database_code               4030889
Crystal structure of KTbF5 and early crystal-chemical data from single-crystal works for eight-coordinated Tb4+ ion
Gaumet, V.; Largeau, E.; Avignant, D.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1075–1084; doi:

data_4030890
_publ_section_title
;
 Crystal structure of KTbF5 and early crystal-chemical data from
 single-crystal works for eight-coordinated Tb4+ ion
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1075
_journal_page_last               1084
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'F5 K Tb'
_chemical_formula_weight         293.016
_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'
_cell_angle_alpha                76.02(2)
_cell_angle_beta                 72.51(2)
_cell_angle_gamma                67.03(1)
_cell_formula_units_Z            6
_cell_length_a                   7.446(1)
_cell_length_b                   8.567(1)
_cell_length_c                   10.834(3)
_cell_volume                     600.8(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    18.683
_exptl_crystal_density_diffrn    4.859
_exptl_crystal_F_000             774
_refine_ls_goodness_of_fit_ref   0.882
_refine_ls_number_parameters     191
_refine_ls_number_reflns         3609
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.039
_cod_data_source_file            EJSSIC-1997-34-1075-1084.cif
_cod_data_source_block           KTbF5
_cod_database_code               4030890
Crystal structure of (NH4)3BiCl6
Belkyal, I.; Mokhlisse, R.; Tanouti, B.; Hesse, K.-F.; Depmeier, W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1085–1091; doi:

data_4030893
_publ_section_title
;
 Crystal structure of (NH4)3BiCl6
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1085
_journal_page_last               1091
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Bi Cl6 H4 N'
_chemical_formula_weight         439.737
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_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            8
_cell_length_a                   12.756(4)
_cell_length_b                   25.514(5)
_cell_length_c                   8.035(2)
_cell_volume                     2615.0(12)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    14.66
_exptl_crystal_density_diffrn    2.42
_exptl_crystal_F_000             1648
_refine_ls_goodness_of_fit_ref   1.934
_refine_ls_number_reflns         1013
_refine_ls_R_factor_gt           0.050
_refine_ls_wR_factor_gt          0.106
_cod_data_source_file            EJSSIC-1997-34-1085-1091.cif
_cod_data_source_block           (NH4)3BiCl6
_cod_original_formula_sum        'H4 Bi Cl6 N'
_cod_database_code               4030893
Structure determination of Tl3Li(MoO4)2. Stereochemical activity of Tl(I) lone pair
Colbeau-Justin, C.; Wallez, G.; Xuriguera, A.-M.; Elfakir, A.; Jaulmes, S.; Quarton, M.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1097–1106; doi:

data_4030894
_publ_section_title
;
 Structure determination of Tl3Li(MoO4)2. Stereochemical activity of Tl(I)
 lone pair
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1097
_journal_page_last               1106
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Li Mo2 O8 Tl3'
_chemical_formula_weight         939.96
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.0037(1)
_cell_length_b                   6.0037(1)
_cell_length_c                   15.8194(5)
_cell_volume                     493.809(19)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.5938
_exptl_crystal_density_diffrn    6.322
_pd_proc_ls_prof_R_factor        0.0474
_pd_proc_ls_prof_wR_factor       0.0635
_refine_ls_number_parameters     36
_refine_ls_number_reflns         226
_refine_ls_R_I_factor            0.0657
_cod_data_source_file            EJSSIC-1997-34-1097-1106.cif
_cod_data_source_block           Tl3Li(MoO4)2
_cod_original_cell_volume        493.81(3)
_cod_database_code               4030894