LMucko/crystallography-open-database huggingface dataset:
A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: X-ray, T = 100 K
Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.; Mineralogical Magazine 78 (2014) 55–72; doi:

data_9017633
_publ_section_title
;
 A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica
 Note: X-ray, T = 100 K
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              55
_journal_page_last               72
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'the Harding pegmatite, Picuris Range, New Mexico, USA'
_chemical_formula_sum
'Al3.44 Be0.16 Ca0.74 H1.66 Li0.39 Na0.26 O12 Si2.29'
_chemical_name_mineral           Bityite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.445
_cell_angle_gamma                90
_cell_length_a                   5.0864
_cell_length_b                   8.8186
_cell_length_c                   19.1098
_cell_formula_units_Z            4
_cell_volume                     853.301
_database_code_amcsd             0020138
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.040
_cod_data_source_file            inputs/fixed/downloads/18/18540.cif
_cod_data_source_block           18540
_cod_original_formula_sum
'(Ca.74 Na.26) Li.39 Al3.44 Si2.29 Be.16 O12 H1.66'
_cod_database_code               9017633
A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: X-ray, T = 100 K
Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.; Mineralogical Magazine 78 (2014) 55–72; doi:

data_9017634
_publ_section_title
;
 A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica
 Note: X-ray, T = 100 K
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              55
_journal_page_last               72
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'the Harding pegmatite, Picuris Range, New Mexico, USA'
_chemical_formula_sum
'Al3.756 Be0.244 Ca0.771 H1.69 Li0.413 Na0.229 O12 Si2'
_chemical_name_mineral           Bityite
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.445
_cell_angle_gamma                90
_cell_length_a                   5.0864
_cell_length_b                   8.8186
_cell_length_c                   19.1098
_cell_formula_units_Z            4
_cell_volume                     853.301
_database_code_amcsd             0020139
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    3.055
_cod_data_source_file            inputs/fixed/downloads/18/18541.cif
_cod_data_source_block           18541
_cod_original_formula_sum
'(Ca.771 Na.229) Li.413 Al3.756 Be.244 Si2 O12 H1.69'
_cod_database_code               9017634
A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: Neutron, T = 20 K
Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.; Mineralogical Magazine 78 (2014) 55–72; doi:

data_9017635
_publ_section_title
;
 A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica
 Note: Neutron, T = 20 K
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              55
_journal_page_last               72
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'the Harding pegmatite, Picuris Range, New Mexico, USA'
_chemical_formula_sum
'Al3.864 Be0.16 Ca0.81 H1.672 Li0.291 Na0.19 O12 Si1.904'
_chemical_name_mineral           Bityite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.459
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0590
_cell_length_b                   8.7909
_cell_length_c                   19.0176
_cell_volume                     841.937
_database_code_amcsd             0020140
_diffrn_ambient_temperature      20
_exptl_crystal_density_diffrn    3.090
_cod_data_source_file            inputs/fixed/downloads/18/18542.cif
_cod_data_source_block           18542
_cod_original_formula_sum
'(Ca.81 Na.19) Li.291 Al3.864 Si1.904 Be.16 O12 H1.672'
_cod_database_code               9017635
A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica Note: Neutron, T = 20 K
Gatta, G. D.; Nenert, G.; Guastella, G.; Lotti, P.; Guastoni, A.; Rizzato, S.; Mineralogical Magazine 78 (2014) 55–72; doi:

data_9017636
_publ_section_title
;
 A single-crystal neutron and X-ray diffraction study of a Li,Be-bearing brittle mica
 Note: Neutron, T = 20 K
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              55
_journal_page_last               72
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'the Harding pegmatite, Picuris Range, New Mexico, USA'
_chemical_formula_sum
'Al3.89 Be0.11 Ca0.79 H1.69 Li0.266 Na0.21 O12 Si2'
_chemical_name_mineral           Bityite
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.459
_cell_angle_gamma                90
_cell_length_a                   5.0590
_cell_length_b                   8.7909
_cell_length_c                   19.0176
_cell_formula_units_Z            4
_cell_volume                     841.937
_database_code_amcsd             0020141
_diffrn_ambient_temperature      20
_exptl_crystal_density_diffrn    3.110
_cod_data_source_file            inputs/fixed/downloads/18/18543.cif
_cod_data_source_block           18543
_cod_original_formula_sum
'(Ca.79 Na.21) Li.266 Al3.89 Be.11 Si2 O12 H1.69'
_cod_database_code               9017636
Mercury-arsenic sulfosalts from the Apuan Alps (Tuscany, Italy). II. Arsiccioite, AgHg2TlAs2S6, a new mineral from the Monte Arsiccio mine: occurrence, crystal structure and crystal chemistry of the routhierite isotypic series Note: sample A
Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Orlandi, P.; Bindi, L.; D'Orazio M; Vezzoni, S.; Mineralogical Magazine 78 (2014) 101–117; doi:

data_9017637
_publ_section_title
;
 Mercury-arsenic sulfosalts from the Apuan Alps (Tuscany, Italy).
 II. Arsiccioite, AgHg2TlAs2S6, a new mineral from the Monte Arsiccio mine:
 occurrence, crystal structure and crystal chemistry of the routhierite isotypic series
 Note: sample A
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              101
_journal_page_last               117
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Monte Arsiccio mine, Apuan Alps, Tuscany, Italy'
_chemical_formula_sum
'Ag0.88 As1.58 Cu0.13 Hg1.91 S6 Sb0.42 Tl1.64 Zn0.08'
_chemical_name_mineral           Arsiccioite
_space_group_IT_number           121
_space_group_name_Hall           'I -4 2'
_space_group_name_H-M_alt        'I -4 2 m'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1386
_cell_length_b                   10.1386
_cell_length_c                   11.3441
_cell_formula_units_Z            4
_cell_volume                     1166.074
_database_code_amcsd             0020024
_exptl_crystal_density_diffrn    6.771
_cod_data_source_file            inputs/fixed/downloads/18/18544.cif
_cod_data_source_block           18544
_cod_original_formula_sum
'Tl1.64 Hg1.91 Ag.88 Cu.13 Zn.08 (As1.58 Sb.42) S6'
_cod_database_code               9017637
Klajite, MnCu4(AsO4)2(AsO3OH)2(H2O)10, from Jachymov (Czech Republic): the second world occurrence
Plasil, J.; Kasatkin, A. V.; Skoda, R.; Skacha, P.; Mineralogical Magazine 78 (2014) 119–129; doi:

data_9017638
_publ_section_title
;
 Klajite, MnCu4(AsO4)2(AsO3OH)2(H2O)10, from Jachymov (Czech Republic):
 the second world occurrence
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              119
_journal_page_last               129
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Sv. Trojice vein, Svornost mine, Jachymov, Czech Republic'
_chemical_formula_sum
'As3.94 Ca0.26 Cu3.91 H22.46 Mg0.14 Mn0.46 O26 Si0.06'
_chemical_name_mineral           Klajite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.737
_cell_angle_beta                 80.944
_cell_angle_gamma                84.982
_cell_formula_units_Z            1
_cell_length_a                   6.4298
_cell_length_b                   7.9716
_cell_length_c                   10.707
_cell_volume                     538.854
_database_code_amcsd             0020070
_exptl_crystal_density_diffrn    3.153
_cod_data_source_file            inputs/fixed/downloads/18/18545.cif
_cod_data_source_block           18545
_cod_original_formula_sum
'Mn.46 Ca.26 Cu3.91 Mg.14 As3.94 Si.06 O26 H22.46'
_cod_database_code               9017638
Putnisite, SrCa4Cr3+8(CO3)8SO4(OH)16*25H2O, a new mineral from Western Australia: description and crystal structure
Elliott, P.; Giester, G.; Rowe, R.; Pring, A.; Mineralogical Magazine 78 (2014) 131–144; doi:

data_9017639
_publ_section_title
;
 Putnisite, SrCa4Cr3+8(CO3)8SO4(OH)16*25H2O, a new mineral from Western Australia:
 description and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              131
_journal_page_last               144
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Polar Bear peninsula, Southern Lake Cowan, Western Australia, Australia'
_chemical_formula_sum            'C8 H66 Ca4 Cr8 O69 S Sr'
_chemical_name_mineral           Putnisite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_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                   15.351
_cell_length_b                   20.421
_cell_length_c                   18.270
_cell_volume                     5727.330
_database_code_amcsd             0020044
_exptl_crystal_density_diffrn    2.276
_cod_data_source_file            inputs/fixed/downloads/18/18546.cif
_cod_data_source_block           18546
_cod_original_formula_sum        'Sr Ca4 Cr8 S C8 O69 H66'
_cod_database_code               9017639
Trevorite: Ni-rich spinel formed by metasomatism and desulfurization processes at Bon Accord, South Africa?
O'Driscoll B; Clay, P. L.; Cawthorn, P. L.; Lenaz, D.; Adetunji, J.; Kronz, A.; Mineralogical Magazine 78 (2014) 145–163; doi:

data_9017640
_publ_section_title
;
 Trevorite: Ni-rich spinel formed by metasomatism and desulfurization processes
 at Bon Accord, South Africa?
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              145
_journal_page_last               163
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Bon Accord, South Africa'
_chemical_formula_sum            'Al0.01 Co0.02 Cr0.03 Fe2.42 Ni0.52 O4'
_chemical_name_mineral           Trevorite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3626
_cell_length_b                   8.3626
_cell_length_c                   8.3626
_cell_formula_units_Z            8
_cell_volume                     584.822
_database_code_amcsd             0020145
_exptl_crystal_density_diffrn    5.285
_cod_data_source_file            inputs/fixed/downloads/18/18547.cif
_cod_data_source_block           18547
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Fe2.42 Ni.52 Cr.03 Al.01 Co.02 O4'
_cod_database_code               9017640
Therasiaite, (NH4)3KNa2Fe2+Fe3+(SO4)3Cl5, a new sulfate chloride from La Fossa Crater, Vulcano, Aeolian islands, Italy
Demartin, F.; Castellano, C.; Campostrini, I.; Mineralogical Magazine 78 (2014) 203–213; doi:

data_9017641
_publ_section_title
;
 Therasiaite, (NH4)3KNa2Fe2+Fe3+(SO4)3Cl5, a new sulfate chloride
 from La Fossa Crater, Vulcano, Aeolian islands, Italy
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              203
_journal_page_last               213
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'La Fossa Crater, Vulcano, Aeolian islands, Italy'
_chemical_formula_sum            'Cl5 Fe2 H3 K1.746 N2.254 Na2 O12 S3'
_chemical_name_mineral           Therasiaite
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.10
_cell_angle_gamma                90
_cell_length_a                   18.284
_cell_length_b                   12.073
_cell_length_c                   9.535
_cell_formula_units_Z            4
_cell_volume                     2000.628
_database_code_amcsd             0020043
_exptl_crystal_density_diffrn    2.410
_cod_data_source_file            inputs/fixed/downloads/18/18548.cif
_cod_data_source_block           18548
_cod_original_formula_sum        'Fe2 S3 O12 Cl5 Na2 N2.254 H3 K1.746'
_cod_database_code               9017641
Oskarssonite, AlF3, a new fumarolic mineral from Eldfell volcano, Heimaey, Iceland
Jacobsen, M. J.; Balic-Zunic T; Mitolo, D.; Katerinopoulou, A.; Garavelli, A.; Jakobsson, S. P.; Mineralogical Magazine 78 (2014) 215–222; doi:

data_9017642
_publ_section_title
;
 Oskarssonite, AlF3, a new fumarolic mineral from Eldfell volcano, Heimaey, Iceland
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              215
_journal_page_last               222
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Eldfell volcano, Heimaey, Iceland'
_chemical_formula_sum            'Al F2.52 H0.48 O0.48'
_chemical_name_mineral           Oskarssonite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.9817
_cell_length_b                   4.9817
_cell_length_c                   12.387
_cell_volume                     266.227
_database_code_amcsd             0020042
_exptl_crystal_density_diffrn    3.107
_cod_data_source_file            inputs/fixed/downloads/18/18549.cif
_cod_data_source_block           18549
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Al F2.52 O.48 H.48'
_cod_database_code               9017642
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample J9698
Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.; Mineralogical Magazine 78 (2014) 293–310; doi:

data_9017643
_publ_section_title
;
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample J9698
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              293
_journal_page_last               310
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Edenville, Orange County, New York, USA'
_chemical_formula_sum
'Al1.86 Ca2.01 Cl0.01 F1.41 Fe0.21 H0.58 K0.11 Mg4.21 Na0.8 O22.58 Si6.6 Ti0.05'
_chemical_name_mineral           Fluoro-pargasite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.17
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.849
_cell_length_b                   17.973
_cell_length_c                   5.2867
_cell_volume                     903.221
_database_code_amcsd             0020429
_exptl_crystal_density_diffrn    3.104
_cod_data_source_file            inputs/fixed/downloads/18/18550.cif
_cod_data_source_block           18550
_cod_original_formula_sum
'Ca2.01 Na.8 K.11 Mg4.21 Al1.86 Ti.05 Fe.21 Si6.6 O22.58 (F1.41 Cl.01 H.58)'
_cod_database_code               9017643
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample FK1
Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.; Mineralogical Magazine 78 (2014) 293–310; doi:

data_9017644
_publ_section_title
;
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample FK1
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              293
_journal_page_last               310
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Edenville, Orange County, New York, USA'
_chemical_formula_sum
'Al1.86 Ca2 Cl0.03 F1.18 Fe0.37 H0.8 K0.13 Mg4.09 Na0.75 O22.8 Si6.6 Ti0.04 Zn0.01'
_chemical_name_mineral           Fluoro-pargasite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.17
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.862
_cell_length_b                   17.998
_cell_length_c                   5.2942
_cell_volume                     906.956
_database_code_amcsd             0020430
_exptl_crystal_density_diffrn    3.112
_cod_data_source_file            inputs/fixed/downloads/18/18551.cif
_cod_data_source_block           18551
_cod_original_formula_sum
'Na.75 K.13 Mg4.09 Al1.86 Ti.04 Zn.01 Fe.37 Ca2 Si6.6 O22.8 F1.18 Cl.03 H.8'
_cod_database_code               9017644
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample C2552
Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.; Mineralogical Magazine 78 (2014) 293–310; doi:

data_9017645
_publ_section_title
;
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample C2552
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              293
_journal_page_last               310
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Sterling Hill, Ogdensburg, New Jersey, USA'
_chemical_formula_sum
'Al1.23 Ca1.92 Cl0.01 F1.31 Fe0.54 H0.68 K0.05 Mg4.34 Mn0.01 Na0.93 O22.68 Si6.86 Ti0.04 Zn0.01'
_chemical_name_mineral           Fluoro-edenite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.013
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.865
_cell_length_b                   18.026
_cell_length_c                   5.2836
_cell_volume                     907.494
_database_code_amcsd             0020431
_exptl_crystal_density_diffrn    3.124
_cod_data_source_file            inputs/fixed/downloads/18/18552.cif
_cod_data_source_block           18552
_cod_original_formula_sum
'Na.93 K.05 Mg4.34 Al1.23 Fe.54 Ti.04 Zn.01 Mn.01 Ca1.92 Si6.86 O22.68 F1.31 Cl.01 H.68'
_cod_database_code               9017645
Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite: a combined X-ray diffraction and FTIR spectroscopic approach Note: Sample GE408
Della Ventura, G.; Bellatreccia, F.; Camara, F.; Oberti, R.; Mineralogical Magazine 78 (2014) 293–310; doi:

data_9017646
_publ_section_title
;
 Crystal-chemistry and short-range order of fluoro-edenite and fluoro-pargasite:
 a combined X-ray diffraction and FTIR spectroscopic approach
 Note: Sample GE408
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              293
_journal_page_last               310
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source
'Limecrest-Southdown Quarry, Sparta, New Jersey, USA'
_chemical_formula_sum
'Al0.97 Ca2.02 Cl0.01 F1.14 Fe0.18 H0.86 K0.11 Mg4.75 Mn0.01 Na0.65 O22.86 Si7.09 Ti0.01'
_chemical_name_mineral           Fluoro-edenite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.97
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.871
_cell_length_b                   18.033
_cell_length_c                   5.2805
_cell_volume                     908.048
_database_code_amcsd             0020432
_exptl_crystal_density_diffrn    3.075
_cod_data_source_file            inputs/fixed/downloads/18/18553.cif
_cod_data_source_block           18553
_cod_original_formula_sum
'Ca2.02 Na.65 K.11 Mg4.75 Al.97 Ti.01 Fe.18 Mn.01 Si7.09 O22.86 F1.14 Cl.01 H.86'
_cod_database_code               9017646