LMucko/crystallography-open-database huggingface dataset:
Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1
Yamazaki, S.; Toraya, H.; Journal of Applied Crystallography 32 (1999) 51–59; doi:10.1107/S0021889898010206

data_9016435
_publ_section_title
;
 Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4
 using a new weight function in least-squares fitting
 Note: e = 1
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              51
_journal_page_last               59
_journal_paper_doi               10.1107/S0021889898010206
_journal_volume                  32
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg0.6 Mn1.4 O4 Si'
_chemical_name_mineral           Tephroite
_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                   10.52411
_cell_length_b                   6.17903
_cell_length_c                   4.83927
_cell_formula_units_Z            4
_cell_volume                     314.692
_database_code_amcsd             0019690
_exptl_crystal_density_diffrn    3.875
_cod_original_formula_sum        '(Mn1.4 Mg.6) Si O4'
_cod_database_code               9016435
A mixed-valent molybdenum monophosphate with a "butterfly"-shaped tunnel structure Cs6Mo7O9(PO4)7*H2O _cod_database_code 1001603
Guesdon, A.; Borel, M.; Leclaire, A.; Grandin, A.; Raveau, B.; Journal of Solid State Chemistry 111 (1994) 315–321; doi:10.1006/jssc.1994.1233

data_9016436
_publ_section_title
;
 A mixed-valent molybdenum monophosphate with a "butterfly"-shaped
 tunnel structure Cs6Mo7O9(PO4)7*H2O
 _cod_database_code 1001603
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              315
_journal_page_last               321
_journal_paper_doi               10.1006/jssc.1994.1233
_journal_volume                  111
_journal_year                    1994
_chemical_formula_sum            'Cs6 Mo7 O38 P7'
_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                   10.084
_cell_length_b                   21.297
_cell_length_c                   17.491
_cell_formula_units_Z            4
_cell_volume                     3756.349
_database_code_amcsd             0013814
_exptl_crystal_density_diffrn    4.056
_cod_original_formula_sum        'Cs6 Mo7 P7 O38'
_cod_database_code               9016436
_amcsd_formula_title             'Cs6 H2 Mo7 O38 P7'
Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 77.4 K
Sandor, E.; Farrow, R. F. C.; Nature 213 (1967) 171–172; doi:10.1038/213171a0

data_9016437
_publ_section_title
;
 Crystal structure of solid hydrogen chloride and deuterium chloride
 Note T = 77.4 K
;
_journal_name_full               Nature
_journal_page_first              171
_journal_page_last               172
_journal_paper_doi               10.1038/213171a0
_journal_volume                  213
_journal_year                    1967
_chemical_compound_source
'synthetic, note this is the deuterated structure'
_chemical_formula_sum            'Cl H'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'B -2 -2b'
_symmetry_space_group_name_H-M   'B b 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.053
_cell_length_b                   5.373
_cell_length_c                   5.825
_cell_formula_units_Z            4
_cell_volume                     158.147
_database_code_amcsd             0018512
_exptl_crystal_density_diffrn    1.531
_cod_original_formula_sum        'H Cl'
_cod_database_code               9016437
_amcsd_formula_title             HCl
Roentgenographische Untersuchung der Struktur des Ammonium-Chlor- Iridats (N H4)2 Ir Cl6 _cod_database_code 1010307
Bokii, G.; Ussikov, P.; Doklady Akademii Nauk SSSR 26 (1940) 782–784; doi:

data_9016438
_publ_section_title
;
 Roentgenographische Untersuchung der Struktur des Ammonium-Chlor-
 Iridats (N H4)2 Ir Cl6
 _cod_database_code 1010307
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              782
_journal_page_last               784
_journal_volume                  26
_journal_year                    1940
_chemical_formula_sum            'Cl6 Ir N2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.87
_cell_length_b                   9.87
_cell_length_c                   9.87
_cell_formula_units_Z            4
_cell_volume                     961.505
_database_code_amcsd             0017233
_exptl_crystal_density_diffrn    2.991
_cod_duplicate_entry             1010307
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ir N2 Cl6'
_cod_database_code               9016438
_amcsd_formula_title             'Cl6 H8 Ir N2'
The dual behavior of the beta-As4S4 altered by light
Zoppi, M.; Pratesi, G.; American Mineralogist 97 (2012) 890–896; doi:10.2138/am.2012.3968

data_9016439
_publ_section_title
;
 The dual behavior of the beta-As4S4 altered by light
;
_journal_name_full               'American Mineralogist'
_journal_page_first              890
_journal_page_last               896
_journal_paper_doi               10.2138/am.2012.3968
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As8 S9'
_chemical_name_mineral           Alacranite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.397
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9342
_cell_length_b                   9.5566
_cell_length_c                   9.1104
_cell_volume                     844.749
_database_code_amcsd             0019016
_exptl_crystal_density_diffrn    3.491
_cod_database_code               9016439
Silver-potassium cyclodecaphosphate decahydrate, Ag4K6P10O30.10H2O: a new example of a phosphoric 10-member ring anion _cod_database_code 1007220
Averbuch-Pouchot M; Durif, A.; Schuelke, U.; Journal of Solid State Chemistry 97 (1992) 299–304; doi:10.1016/0022-4596(92)90037-V

data_9016440
_publ_section_title
;
 Silver-potassium cyclodecaphosphate decahydrate,
 Ag4K6P10O30.10H2O: a new example of a phosphoric 10-member ring anion
 _cod_database_code 1007220
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               304
_journal_paper_doi               10.1016/0022-4596(92)90037-V
_journal_volume                  97
_journal_year                    1992
_chemical_formula_sum            'Ag2 K3 O20 P5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.38
_cell_angle_beta                 101.03
_cell_angle_gamma                87.51
_cell_length_a                   14.267
_cell_length_b                   7.305
_cell_length_c                   10.319
_cell_formula_units_Z            2
_cell_volume                     1017.751
_database_code_amcsd             0015902
_exptl_crystal_density_diffrn    2.636
_cod_duplicate_entry             1007220
_cod_original_formula_sum        'Ag2 K3 P5 O20'
_cod_database_code               9016440
_amcsd_formula_title             'Ag4 H20 K6 O40 P10'
Crystal structure of arrojadite
Krutik, V. M.; Pushcharovskii, D. Y.; Podebimskaya, E. A.; Belov, N. V.; Kristallografiya 24 (1979) 743–750; doi:

data_9016441
_publ_section_title
;
 Crystal structure of arrojadite
;
_journal_name_full               Kristallografiya
_journal_page_first              743
_journal_page_last               750
_journal_volume                  24
_journal_year                    1979
_chemical_compound_source        'Nickel Plate mine, South Dakota, USA'
_chemical_formula_sum
'Al Ba0.25 Ca F3.32 Fe12 H1.32 K0.25 Mn2 Na2.25 O46.68 P12 Sr0.25'
_chemical_name_mineral           Arrojadite-(KFe)
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-B 2b'
_symmetry_space_group_name_H-M   'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                105.79
_cell_formula_units_Z            4
_cell_length_a                   16.476
_cell_length_b                   24.581
_cell_length_c                   9.996
_cell_volume                     3895.583
_database_code_amcsd             0014185
_exptl_crystal_density_diffrn    3.662
_cod_original_formula_sum
'Fe12 Mn2 Al Na2.25 K.25 Ba.25 Sr.25 Ca P12 O46.68 F3.32 H1.32'
_cod_database_code               9016441
Structural investigation of a new iron germanate Fe8 Ge3 O18 _cod_database_code 1001675
Agafonov, V.; Kahn, A.; Michel, D.; Perez y Jorba, M.; Journal of Solid State Chemistry 62 (1986) 397–401; doi:10.1016/0022-4596(86)90255-0

data_9016442
_publ_section_title
;
 Structural investigation of a new iron germanate Fe8 Ge3 O18
 _cod_database_code 1001675
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              397
_journal_page_last               401
_journal_paper_doi               10.1016/0022-4596(86)90255-0
_journal_volume                  62
_journal_year                    1986
_chemical_formula_sum            'Fe2.667 Ge O6'
_space_group_IT_number           14
_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                 101.80
_cell_angle_gamma                90
_cell_length_a                   8.754
_cell_length_b                   5.110
_cell_length_c                   14.280
_cell_formula_units_Z            6
_cell_volume                     625.287
_database_code_amcsd             0013581
_exptl_crystal_density_diffrn    5.060
_cod_duplicate_entry             1001675
_cod_database_code               9016442
_amcsd_formula_title             'Fe8 Ge3 O18'
Rietveld refinement of two-phase Zr-doped Y~2~O~3~
Baldinozzi, G.; Berar, J.-F.; Calvarin, G.; Materials Science Forum  (1998) 680–685; doi:10.4028/www.scientific.net/MSF.278-281.680

data_9016443
_publ_section_title
;
 Rietveld refinement of two-phase Zr-doped Y~2~O~3~
;
_journal_coden_ASTM              MSFOEP
_journal_name_full               'Materials Science Forum'
_journal_page_first              680
_journal_page_last               685
_journal_paper_doi               10.4028/www.scientific.net/MSF.278-281.680
_journal_volume                  278-281
_journal_year                    1998
_chemical_formula_sum            'O6 Y2.001 Zr1.999'
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.5392
_cell_length_b                   10.5392
_cell_length_c                   10.5392
_cell_formula_units_Z            8
_cell_volume                     1170.639
_database_code_amcsd             0016878
_exptl_crystal_density_diffrn    5.178
_cod_duplicate_entry             1009016
_cod_original_sg_symbol_H-M      'I a 3'
_cod_original_formula_sum        'Y2.001 Zr1.999 O6'
_cod_database_code               9016443
_amcsd_formula_title             'O3 Y Zr'
Investigations structurales des composes K3-x(InX6-x(H2O)x,nH2O). I. Etude cristallographique (X=Br); comparaison des distances indium-ligand (X=Cl,Br) _cod_database_code 1004095
Lornaux-Rubbens A; Wignacourt, J.; Drache, M.; Wallart, F.; Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2041–2055; doi:

data_9016444
_publ_section_title
;
 Investigations structurales des composes K3-x(InX6-x(H2O)x,nH2O).
 I. Etude cristallographique (X=Br); comparaison
 des distances indium-ligand (X=Cl,Br)
 _cod_database_code 1004095
;
_journal_name_full
'Journal de Chimie Physique et de Physico-Chimie Biologique'
_journal_page_first              2041
_journal_page_last               2055
_journal_volume                  88
_journal_year                    1991
_chemical_formula_sum            'Br42 In7 K21 O10.5'
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.563
_cell_length_b                   16.563
_cell_length_c                   18.563
_cell_formula_units_Z            2
_cell_volume                     5092.443
_database_code_amcsd             0012755
_exptl_crystal_density_diffrn    3.358
_cod_duplicate_entry             1004095
_cod_original_cell_volume        5092.442
_cod_original_formula_sum        'In7 Br42 K21 O10.5'
_cod_database_code               9016444
_amcsd_formula_title             'Br6 H3 In K3 O1.5'
Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 300 C
Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P.; Mineralogical Magazine 76 (2012) 613–623; doi:10.1180/minmag.2012.076.3.12

data_9016445
_publ_section_title
;
 Thermal expansion of alunite up to dehydroxylation
 and collapse of the crystal structure
 Note: T = 300 C
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              613
_journal_page_last               623
_journal_paper_doi               10.1180/minmag.2012.076.3.12
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        Hungary
_chemical_formula_sum            'Al2.889 H6 K0.876 Na0.071 O14 S2'
_chemical_name_mineral           Alunite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.9859
_cell_length_b                   6.9859
_cell_length_c                   17.481
_cell_volume                     738.825
_database_code_amcsd             0018987
_exptl_crystal_density_diffrn    2.751
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.876 Na.071 Al2.889 S2 O14 H6'
_cod_database_code               9016445
Localisation des cations monovalents dans les pyrochlores A B2 X6 (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions cristallographiques dans le cas du thallium _cod_database_code 1000170
Ory, G.; Fourquet, J.; Jacoboni, C.; Miranday, J.; de Pape, R.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 273 (1971) 747–750; doi:

data_9016446
_publ_section_title
;
 Localisation des cations monovalents dans les pyrochlores A B2 X6
 (A = Rb, Cs, Tl): Mise en evidence de nouvelles positions
 cristallographiques dans le cas du thallium
 _cod_database_code 1000170
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              747
_journal_page_last               750
_journal_volume                  273
_journal_year                    1971
_chemical_formula_sum            'F Nb0.5 O2 Ti0.5 Tl0.5'
_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                   10.365
_cell_length_b                   10.365
_cell_length_c                   10.365
_cell_formula_units_Z            16
_cell_volume                     1113.545
_database_code_amcsd             0012288
_exptl_crystal_density_diffrn    5.335
_cod_duplicate_entry             1000170
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Tl.5 (Ti.5 Nb.5) (O2 F)'
_cod_database_code               9016446
_amcsd_formula_title             'F2 Nb O4 Ti Tl'
Etude structurale par diffraction X sur monocristal et diffraction neutronique sur poudre de l'oxyde mixte Bi.7 La.3 O1.5 _cod_database_code 1004088
Mercurio, D.; El Farissi, M.; Champarnaud Mesjard, J.; Frit, B.; Conflant, P.; Roult, G.; Journal of Solid State Chemistry 80 (1989) 133–143; doi:10.1016/0022-4596(89)90040-6

data_9016447
_publ_section_title
;
 Etude structurale par diffraction X sur monocristal et diffraction
 neutronique sur poudre de l'oxyde mixte Bi.7 La.3 O1.5
 _cod_database_code 1004088
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              133
_journal_page_last               143
_journal_paper_doi               10.1016/0022-4596(89)90040-6
_journal_volume                  80
_journal_year                    1989
_chemical_formula_sum            'Bi2.1 La0.9 O4.54'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.040
_cell_length_b                   4.040
_cell_length_c                   27.557
_cell_formula_units_Z            3
_cell_volume                     389.516
_database_code_amcsd             0013655
_exptl_crystal_density_diffrn    8.140
_cod_duplicate_entry             1004088
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'La.9 Bi2.1 O4.54'
_cod_database_code               9016447
_amcsd_formula_title             'Bi0.7 La0.3 O1.5'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 25.72 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9016448
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 25.72 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.477
_cell_length_b                   3.477
_cell_length_c                   3.477
_cell_formula_units_Z            4
_cell_volume                     42.035
_database_code_amcsd             0019445
_exptl_crystal_density_diffrn    8.825
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016448
_cod_duplicate_entry 9015906
Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group
Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G.; European Journal of Mineralogy 24 (2012) 1061–1067; doi:10.1127/0935-1221/2012/0024-2243

data_9016449
_publ_section_title
;
 Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              1061
_journal_page_last               1067
_journal_paper_doi               10.1127/0935-1221/2012/0024-2243
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source        'the Molinello mine,Val Graveglia, Italy'
_chemical_formula_sum
'Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25'
_chemical_name_mineral           Paseroite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.3894
_cell_length_b                   10.3894
_cell_length_c                   20.8709
_cell_volume                     1950.980
_database_code_amcsd             0019584
_exptl_crystal_density_diffrn    4.304
_cod_original_cell_volume        1950.979
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum
'(Pb.61 Sr.39) Mn1.87 Zn.25 U.02 Fe1.04 Na.18 Mg.02 V7.74 Ti7.02 O38'
_cod_database_code               9016449
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.75 GPa
Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.; American Mineralogist 97 (2012) 1749–1763; doi:10.2138/am.2012.4175

data_9016450
_publ_section_title
;
 Second-order P6c2-P31c transition and structural crystallography of
 the cyclosilicate benitoite, BaTiSi3O9, at high pressure
 Note: P = 4.75 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1749
_journal_page_last               1763
_journal_paper_doi               10.2138/am.2012.4175
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Ba O9 Si3 Ti'
_chemical_name_mineral           Benitoite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.3382
_cell_length_b                   11.3382
_cell_length_c                   9.6584
_cell_formula_units_Z            6
_cell_volume                     1075.286
_database_code_amcsd             0019512
_exptl_crystal_density_diffrn    3.831
_cod_original_formula_sum        'Ba Ti Si3 O9'
_cod_database_code               9016450
Contribution to the crystal chemistry of tetrametaphosphates (I). _cod_database_code 1007174
Averbuch-Pouchot M; Durif, A.; Journal of Solid State Chemistry 58 (1985) 119–132; doi:10.1016/0022-4596(85)90275-0

data_9016451
_publ_section_title
;
 Contribution to the crystal chemistry of tetrametaphosphates (I).
 _cod_database_code 1007174
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              119
_journal_page_last               132
_journal_paper_doi               10.1016/0022-4596(85)90275-0
_journal_volume                  58
_journal_year                    1985
_chemical_formula_sum            'K Na O7 P2'
_space_group_IT_number           76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.928
_cell_length_b                   7.928
_cell_length_c                   21.66
_cell_formula_units_Z            8
_cell_volume                     1361.400
_database_code_amcsd             0013550
_exptl_crystal_density_diffrn    2.303
_cod_duplicate_entry             1007174
_cod_original_formula_sum        'K P2 Na O7'
_cod_database_code               9016451
_amcsd_formula_title             'H4 K2 Na2 O14 P4'