LMucko/crystallography-open-database huggingface dataset:
The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from P2_12_12_1
Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.; American Mineralogist 97 (2012) 1043–1048; doi:10.2138/am.2012.4022

data_9016368
_publ_section_title
;
 The 3.65 A phase, MgSi(OH)6: structural insights from
 DFT-calculations and T-dependent IR spectroscopy
 Note: theoretical structure, GGA from P2_12_12_1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1043
_journal_page_last               1048
_journal_paper_doi               10.2138/am.2012.4022
_journal_volume                  97
_journal_year                    2012
_chemical_formula_sum            'H6 Mg O6 Si'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 89.88
_cell_angle_gamma                90
_cell_length_a                   5.173
_cell_length_b                   5.210
_cell_length_c                   7.371
_cell_formula_units_Z            4
_cell_volume                     198.658
_database_code_amcsd             0019162
_exptl_crystal_density_diffrn    5.164
_cod_original_sg_symbol_H-M      'P 1 21 21 21 1'
_cod_original_formula_sum        'Mg Si O6 H6'
_cod_database_code               9016368
_amcsd_formula_title             MgSi(OH)6
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 240 K
Wood, I. G.; Vocadlo, L.; Knight, K. S.; Dobson, D. P.; Marshall, W. G.; Price, G. D.; Brodholt, J.; Journal of Applied Crystallography 37 (2004) 82–90; doi:10.1107/S0021889803024695

data_9016369
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 240 K
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              82
_journal_page_last               90
_journal_paper_doi               10.1107/S0021889803024695
_journal_volume                  37
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_space_group_IT_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                   5.082
_cell_length_b                   6.748
_cell_length_c                   4.513
_cell_measurement_temperature    240
_cell_volume                     154.766
_database_code_amcsd             0019110
_diffrn_ambient_temperature      240
_exptl_crystal_density_diffrn    7.706
_cod_duplicate_entry             2300073
_cod_depositor_comments
;
 Adding the _cell_measurement_temperature and _diffrn_ambient_temperature
 data items after consulting the original publication.

 Antanas Vaitkus,
 2017-08-17

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-17
;
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9016369
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9016370
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 765 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.609 Fe0.389 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_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                   8.1478
_cell_length_b                   8.1478
_cell_length_c                   8.1478
_cell_formula_units_Z            8
_cell_volume                     540.905
_database_code_amcsd             0019292
_exptl_crystal_density_diffrn    3.768
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.609 Mg Fe.389 O4'
_cod_database_code               9016370
Weitere Beobachtungen ueber Isomorphie bei kubischen Kristallen von Hexammine- und Pentammin-Aquokomplexsalzen _cod_database_code 1010781
Hassel, O.; Norsk Geologisk Tidsskrift 10 (1928) 92–96; doi:

data_9016371
_publ_section_title
;
 Weitere Beobachtungen ueber Isomorphie bei kubischen Kristallen von
 Hexammine- und Pentammin-Aquokomplexsalzen
 _cod_database_code 1010781
;
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              92
_journal_page_last               96
_journal_volume                  10
_journal_year                    1928
_chemical_formula_sum            'Co I S'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.71
_cell_length_b                   10.71
_cell_length_c                   10.71
_cell_formula_units_Z            4
_cell_volume                     1228.481
_database_code_amcsd             0017538
_exptl_crystal_density_diffrn    1.178
_cod_duplicate_entry             1010781
_cod_original_formula_sum        'Co S I'
_cod_database_code               9016371
_amcsd_formula_title             'Co H18 I N6 O4 S'
Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral, from the Shiti barium deposit in the Dabashan region, China Note: data is taken from the deposited cif, which unfortunately does not agree with the published tables.
Liu, J.; Li, G.; Mao, Q.; Wu, S.; Liu, Z.; Su, S.; Xiong, M.; Yu, X.; American Mineralogist 97 (2012) 281–290; doi:10.2138/am.2012.3781

data_9016372
_publ_section_title
;
 Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral,
 from the Shiti barium deposit in the Dabashan region, China
 Note: data is taken from the deposited cif, which unfortunately does not agree
 with the published tables.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              281
_journal_page_last               290
_journal_paper_doi               10.2138/am.2012.3781
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Southern Shaanxi, China'
_chemical_formula_sum            'C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323'
_chemical_name_mineral           Hanjiangite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.49
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2050
_cell_length_b                   9.033
_cell_length_c                   32.077
_cell_volume                     1505.360
_database_code_amcsd             0018777
_exptl_crystal_density_diffrn    3.699
_cod_original_formula_sum        'Ba2 Ca V1.323 Al1.7 Si2.98 O18 F.66 C2 H2'
_cod_database_code               9016372
Li^+^-H^+^ exchange on Li2TiTeO6 _cod_database_code 1000336
Crosnier, M.; Delarue, E.; Choisnet, J.; Fourquet, J.; European Journal of Solid State and Inorganic Chemistry 39 (1992) 321–332; doi:

data_9016373
_publ_section_title
;
 Li^+^-H^+^ exchange on Li2TiTeO6
 _cod_database_code 1000336
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              321
_journal_page_last               332
_journal_volume                  39
_journal_year                    1992
_chemical_formula_sum            'O3 Te0.5 Ti0.5'
_space_group_IT_number           102
_symmetry_space_group_name_Hall  'P 4n -2n'
_symmetry_space_group_name_H-M   'P 42 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.6861
_cell_length_b                   4.6861
_cell_length_c                   8.8707
_cell_formula_units_Z            4
_cell_volume                     194.796
_database_code_amcsd             0012628
_exptl_crystal_density_diffrn    4.628
_cod_duplicate_entry             1000336
_cod_original_formula_sum        '(Te.5 Ti.5) O3'
_cod_database_code               9016373
_amcsd_formula_title             'H1.68 Li0.32 O6 Te Ti'
Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2 Note: T = 297 K
Tegel, M.; Rotter, M.; Weiss, V.; Schappacher, F. M.; Pottgen, R.; Johrendt, D.; Journal of Physics: Condensed Matter 20 (2008) 452201_1–452201_5; doi:

data_9016374
_publ_section_title
;
 Structural and magnetic phase transitions in the ternary iron arsenides SrFe2As2 and EuFe2As2
 Note: T = 297 K
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              452201_1
_journal_page_last               452201_5
_journal_volume                  20
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Fe2 Sr'
_space_group_IT_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_length_a                   3.9243
_cell_length_b                   3.9243
_cell_length_c                   12.3644
_cell_formula_units_Z            2
_cell_volume                     190.413
_database_code_amcsd             0018356
_exptl_crystal_density_diffrn    6.090
_cod_original_formula_sum        'Sr Fe2 As2'
_cod_database_code               9016374
_amcsd_formula_title             SrFe2As2
A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 288 K
Hibbs, D. E.; Leverett, P.; Williams, P. A.; Mineralogical Magazine 67 (2003) 47–60; doi:10.1180/0026461036710083

data_9016375
_publ_section_title
;
 A single crystal X-ray study of a sulphate-bearing buttgenbachite,
 Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2.5.2H2O, and a re-examination
 of the crystal chemistry of the buttgenbachite-connellite series
 Note: T = 288 K
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              47
_journal_page_last               60
_journal_paper_doi               10.1180/0026461036710083
_journal_volume                  67
_journal_year                    2003
_chemical_compound_source        'Likasi, Democratic Republic of Congo'
_chemical_formula_sum            'Cl3.9 Cu18 H32.07 N0.66 O34.11 S0.18'
_chemical_name_mineral           Buttgenbachite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   15.739
_cell_length_b                   15.739
_cell_length_c                   9.127
_cell_volume                     1958.001
_database_code_amcsd             0018303
_exptl_crystal_density_diffrn    3.181
_cod_original_formula_sum        'Cu18 Cl3.9 O34.11 N.66 S.18 H32.07'
_cod_database_code               9016375
Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
Furuseth, S.; Selte, K.; Kjekshus, A.; Acta Chemica Scandinavica 19 (1965) 735–741; doi:10.3891/acta.chem.scand.19-0735

data_9016376
_publ_section_title
;
 Redetermined crystal structures of PdAs2, PdSb2,
 PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              735
_journal_page_last               741
_journal_paper_doi               10.3891/acta.chem.scand.19-0735
_journal_volume                  19
_journal_year                    1965
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Pt Sb2'
_chemical_name_mineral           Geversite
_space_group_IT_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_length_a                   6.4400
_cell_length_b                   6.4400
_cell_length_c                   6.4400
_cell_formula_units_Z            4
_cell_volume                     267.090
_database_code_amcsd             0017787
_exptl_crystal_density_diffrn    10.907
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9016376
Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy
Vignola, P.; Hatert, F.; Bersani, D.; Diella, V.; Gentile, P.; Risplendente, A.; European Journal of Mineralogy 24 (2012) 1069–1076; doi:10.1127/0935-1221/2012/0024-2247

data_9016377
_publ_section_title
;
 Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from
 the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1069
_journal_page_last               1076
_journal_paper_doi               10.1127/0935-1221/2012/0024-2247
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'Val Cavallizza mine, Cuasso al Monte, Varese province, Italy'
_chemical_formula_sum            'Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S'
_chemical_name_mineral           Chukhrovite-(Ca)
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.749
_cell_length_b                   16.749
_cell_length_c                   16.749
_cell_volume                     4698.580
_database_code_amcsd             0019596
_exptl_crystal_density_diffrn    2.237
_cod_original_cell_volume        4698.581
_cod_original_sg_symbol_H-M      'F d 3'
_cod_original_formula_sum        'Ca4.33 Na.12 Fe.03 Al2 S F13 O16 H24'
_cod_database_code               9016377
Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim9_q1, treated at 700 C for 210 min
Zema, M.; Tarantino, S. C.; Giorgiani, A.; Mineralogical Magazine 70 (2006) 319–328; doi:10.1180/0026461067030335

data_9016378
_publ_section_title
;
 Structural changes induced by cation ordering in ferrotapiolite
 Note: Crystal Kim9_q1, treated at 700 C for 210 min
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              319
_journal_page_last               328
_journal_paper_doi               10.1180/0026461067030335
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'Kimito, Finland'
_chemical_formula_sum            'Fe0.999 Nb0.13 O6 Ta1.871'
_chemical_name_mineral           Tapiolite-(Fe)
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7475
_cell_length_b                   4.7475
_cell_length_c                   9.2690
_cell_formula_units_Z            2
_cell_volume                     208.912
_database_code_amcsd             0018704
_exptl_crystal_density_diffrn    7.987
_cod_original_formula_sum        'Fe.999 Ta1.871 Nb.13 O6'
_cod_database_code               9016378
The crystal structure of stichtite, re-examination of barbertonite, and the nature of polytypism in MgCr hydrotalcites Note: Sample 84588, 2H1 polytype of stichtite = barbertonite
Mills, S. J.; Whitfield, P. S.; Wilson, S. A.; Woodhouse, J. N.; Dipple, G. M.; Raudsepp, M.; Francis, C. A.; American Mineralogist 96 (2011) 179–187; doi:10.2138/am.2011.3531

data_9016379
_publ_section_title
;
 The crystal structure of stichtite, re-examination of barbertonite, and the
 nature of polytypism in MgCr hydrotalcites
 Note: Sample 84588, 2H1 polytype of stichtite = barbertonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              179
_journal_page_last               187
_journal_paper_doi               10.2138/am.2011.3531
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Barberton, South Africa'
_chemical_formula_sum            'C0.124 H3.224 Cr0.25 Mg0.75 O2.984'
_chemical_name_mineral           Stichtite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.09689
_cell_length_b                   3.09689
_cell_length_c                   15.6193
_cell_volume                     129.731
_database_code_amcsd             0018331
_exptl_crystal_density_diffrn    2.143
_cod_original_formula_sum        '(Mg.75 Cr.25) O2.984 H3.224 C.124'
_cod_database_code               9016379
_cod_duplicate_entry 9014563
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 60 K
Wood, I. G.; Vocadlo, L.; Knight, K. S.; Dobson, D. P.; Marshall, W. G.; Price, G. D.; Brodholt, J.; Journal of Applied Crystallography 37 (2004) 82–90; doi:10.1107/S0021889803024695

data_9016380
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 60 K
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              82
_journal_page_last               90
_journal_paper_doi               10.1107/S0021889803024695
_journal_volume                  37
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_space_group_IT_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                   5.082
_cell_length_b                   6.735
_cell_length_c                   6.512
_cell_measurement_temperature    60
_cell_volume                     222.888
_database_code_amcsd             0019101
_diffrn_ambient_temperature      60
_exptl_crystal_density_diffrn    5.351
_cod_duplicate_entry             2300064
_cod_depositor_comments
;
 Adding the _cell_measurement_temperature and _diffrn_ambient_temperature
 data items after consulting the original publication.

 Antanas Vaitkus,
 2017-08-17

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-17
;
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9016380
The structure of Anthophyllite H2 Mg7 (Si O3)8 _cod_database_code 1010935
Warren, B.; Modell, D.; Zeitschrift fur Kristallographie 75 (1930) 161–179; doi:

data_9016381
_publ_section_title
;
 The structure of Anthophyllite H2 Mg7 (Si O3)8
 _cod_database_code 1010935
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              161
_journal_page_last               179
_journal_volume                  75
_journal_year                    1930
_chemical_formula_sum            'Mg7 O24 Si8'
_chemical_name_mineral           Anthophyllite
_space_group_IT_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_length_a                   18.5
_cell_length_b                   17.89999
_cell_length_c                   5.27
_cell_formula_units_Z            4
_cell_volume                     1745.160
_database_code_amcsd             0017657
_exptl_crystal_density_diffrn    2.964
_cod_duplicate_entry             1010935
_cod_original_formula_sum        'Mg7 Si8 O24'
_cod_database_code               9016381
Die Struktur von festem N2 O4 bei der Temperatur von fluessiger Luft. _cod_database_code 1010516
Vegard, L.; Zeitschrift fur Physik 68 (1931) 184–203; doi:10.1007/BF01390966

data_9016382
_publ_section_title
;
 Die Struktur von festem N2 O4 bei der Temperatur von fluessiger Luft.
 _cod_database_code 1010516
;
_journal_name_full               'Zeitschrift fur Physik'
_journal_page_first              184
_journal_page_last               203
_journal_paper_doi               10.1007/BF01390966
_journal_volume                  68
_journal_year                    1931
_chemical_formula_sum            'N O2'
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.77
_cell_length_b                   7.77
_cell_length_c                   7.77
_cell_formula_units_Z            12
_cell_volume                     469.097
_database_code_amcsd             0017427
_exptl_crystal_density_diffrn    1.954
_cod_duplicate_entry             1010516
_cod_database_code               9016382
_amcsd_formula_title             'N2 O4'
The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4]
Hatert, F.; Lefevre, P.; Fransolet, A. M.; The Canadian Mineralogist 49 (2011) 1079–1087; doi:10.3749/canmin.49.4.1079

data_9016383
_publ_section_title
;
 The crystal structure of bertossaite, CaLi2[Al4(PO4)4(OH,F)4]
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1079
_journal_page_last               1087
_journal_paper_doi               10.3749/canmin.49.4.1079
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Buranga pegmatite, Rwanda'
_chemical_formula_sum            'Al4 Ca0.87 H4 Li3.72 Na0.41 O20 P4'
_chemical_name_mineral           Bertossaite
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2a 2'
_symmetry_space_group_name_H-M   'I m c b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.476
_cell_length_b                   15.744
_cell_length_c                   7.228
_cell_volume                     1305.942
_database_code_amcsd             0018635
_exptl_crystal_density_diffrn    3.184
_cod_original_formula_sum        'Li3.72 Na.41 Ca.87 Al4 P4 O20 H4'
_cod_database_code               9016383