LMucko/crystallography-open-database huggingface dataset:
Crystal structure of the polyphosphate (Bi H (P O3)4)X
Palinka, K.; Jost, K.H.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2285–2290; doi:

data_2106719
_publ_section_title
;
 Crystal structure of the polyphosphate (Bi H (P O3)4)X
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2285
_journal_page_last               2290
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Bi H O12 P4'
_chemical_name_systematic        'Bi H (P O3)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.17
_cell_angle_beta                 108.54
_cell_angle_gamma                98.49
_cell_formula_units_Z            2
_cell_length_a                   8.625
_cell_length_b                   8.866
_cell_length_c                   7.062
_cell_volume                     451.584
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Palinka_ACBCAR_1975_76.cif
_cod_data_source_block           H1Bi1O12P4
_cod_original_cell_volume        451.5837
_cod_original_formula_sum        'H1 Bi1 O12 P4'
_cod_database_code               2106719
Crystal structure of bismuth polyphosphate, Bi(P O3)3
Palkina, K.; Jost, K.H.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2281–2285; doi:

data_2106720
_publ_section_title
;
 Crystal structure of bismuth polyphosphate, Bi(P O3)3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2281
_journal_page_last               2285
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Bi O9 P3'
_chemical_name_systematic        'Bi (P O3)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.732
_cell_length_b                   6.933
_cell_length_c                   7.152
_cell_volume                     679.735
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Palkina_ACBCAR_1975_75.cif
_cod_data_source_block           Bi1O9P3
_cod_original_cell_volume        679.7352
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'Bi1 O9 P3'
_cod_database_code               2106720
Synthesis and structure of Pb3 Cr2 (P O4)4
Palkina, K.; Saifuddinov, V.Z.; Lavrov, A.V.; Doklady Akademii Nauk SSSR 237 (1977) 1090–1093; doi:

data_1530533
_publ_section_title
;
 Synthesis and structure of Pb3 Cr2 (P O4)4
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1090
_journal_page_last               1093
_journal_volume                  237
_journal_year                    1977
_chemical_formula_sum            'Cr2 O16 P4 Pb3'
_chemical_name_systematic        'Pb3 Cr2 (P O4)4'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.597
_cell_length_b                   9.597
_cell_length_c                   16.532
_cell_volume                     1522.637
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Palkina_DANKAS_1977_651.cif
_cod_data_source_block           Cr2O16P4Pb3
_cod_database_code               1530533
The crystal structure of Tl Nd (P O3)4
Palkina, K.; Saifuddinov, V.Z.; Kuznetsova, V.G.; Chudinova, N.N.; Doklady Akademii Nauk SSSR 237 (1977) 837–839; doi:

data_1530534
_publ_section_title
;
 The crystal structure of Tl Nd (P O3)4
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              837
_journal_page_last               839
_journal_volume                  237
_journal_year                    1977
_chemical_formula_sum            'Nd O12 P4 Tl'
_chemical_name_systematic        'Tl Nd (P O3)4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.86
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.44
_cell_length_b                   8.05
_cell_length_c                   11.007
_cell_volume                     889.836
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Palkina_DANKAS_1977_735.cif
_cod_data_source_block           Nd1O12P4Tl1
_cod_original_cell_volume        889.8358
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Nd1 O12 P4 Tl1'
_cod_database_code               1530534
Synthesis and structure of palladium polyphosphate Pd (P O3)2 crystals
Palkina, K.K.; Maksimova, S.I.; Chalisova, N.A.; Lavrov, A.V.; Doklady Akademii Nauk SSSR 242 (1978) 829–831; doi:

data_1530535
_publ_section_title
;
 Synthesis and structure of palladium polyphosphate Pd (P O3)2 crystals
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              829
_journal_page_last               831
_journal_volume                  242
_journal_year                    1978
_chemical_formula_sum            'O6 P2 Pd'
_chemical_name_systematic        'Pd (P O3)2'
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2 2ac'
_symmetry_space_group_name_H-M   'P c n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.233
_cell_length_b                   4.571
_cell_length_c                   12.472
_cell_volume                     241.321
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Palkina_DANKAS_1978_499.cif
_cod_data_source_block           O6P2Pd1
_cod_original_cell_volume        241.3213
_cod_original_sg_symbol_Hall     '-P 2ac 2 (z,y,-x)'
_cod_original_formula_sum        'O6 P2 Pd1'
_cod_database_code               1530535
Crystal structure of the double octametaphosphate K2 Ga2 P8 O24
Palkina, K.K.; Maksimova, S.I.; Chudinova, N.N.; Kuznetsov, V.G.; Doklady Akademii Nauk SSSR 245 (1979) 1386–1389; doi:

data_1530536
_publ_section_title
;
 Crystal structure of the double octametaphosphate K2 Ga2 P8 O24
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1386
_journal_page_last               1389
_journal_volume                  245
_journal_year                    1979
_chemical_formula_sum            'Ga2 K2 O24 P8'
_chemical_name_systematic        'K2 Ga2 P8 O24'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.04
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.138
_cell_length_b                   12.29
_cell_length_c                   16.802
_cell_volume                     1041.345
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Palkina_DANKAS_1979_466.cif
_cod_data_source_block           Ga2K2O24P8
_cod_original_sg_symbol_Hall     '-C 2y (z,y,-x)'
_cod_database_code               1530536
Structure of crystals of the double mixed ortho-pyro-phosphate K2 Ni4 (P O4)2 (P2 O7)
Palkina, K.K.; Maksimova, S.I.; Doklady Akademii Nauk SSSR 250 (1980) 1130–1134; doi:

data_1530537
_publ_section_title
;
 Structure of crystals of the double mixed ortho-pyro-phosphate K2 Ni4 (P
 O4)2 (P2 O7)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1130
_journal_page_last               1134
_journal_volume                  250
_journal_year                    1980
_chemical_formula_sum            'K2 Ni4 O15 P4'
_chemical_name_systematic        'K2 Ni4 (P O4)2 (P2 O7)'
_space_group_IT_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                 102.91
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.304
_cell_length_b                   13.682
_cell_length_c                   18.139
_cell_volume                     2492.583
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Palkina_DANKAS_1980_556.cif
_cod_data_source_block           K2Ni4O15P4
_cod_database_code               1530537
The structure of crystals of the cubic modification of cesium and neodymium tetrametaphosphate beta-Cs Nd (P O3)4 (Cs Nd P4 O12)
Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.; Doklady Akademii Nauk SSSR 257 (1981) 357–361; doi:

data_1530538
_publ_section_title
;
 The structure of crystals of the cubic modification of cesium and
 neodymium tetrametaphosphate beta-Cs Nd (P O3)4 (Cs Nd P4 O12)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              357
_journal_page_last               361
_journal_volume                  257
_journal_year                    1981
_chemical_formula_sum            'Cs Nd O12 P4'
_chemical_name_systematic        'Cs Nd (P O3)4'
_space_group_IT_number           220
_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            12
_cell_length_a                   15.233
_cell_length_b                   15.233
_cell_length_c                   15.233
_cell_volume                     3534.731
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Palkina_DANKAS_1981_1020.cif
_cod_data_source_block           Cs1Nd1O12P4
_cod_original_cell_volume        3534.73
_cod_original_formula_sum        'Cs1 Nd1 O12 P4'
_cod_database_code               1530538
Structure of crystals of acid ytterbium tripolyphosphate Yb H2 P3 O10
Palkina, K.K.; Maksimova, S.I.; Kuznetsov, V.G.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 15 (1979) 2168–2170; doi:

data_1530539
_publ_section_title
;
 Structure of crystals of acid ytterbium tripolyphosphate Yb H2 P3 O10
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              2168
_journal_page_last               2170
_journal_volume                  15
_journal_year                    1979
_chemical_formula_sum            'H2 O10 P3 Yb'
_chemical_name_systematic        'Yb H2 P3 O10'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'A 2y'
_symmetry_space_group_name_H-M   'A 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.32
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.617
_cell_length_b                   6.666
_cell_length_c                   10.011
_cell_volume                     371.786
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Palkina_IVNMAW_1979_577.cif
_cod_data_source_block           H2O10P3Yb1
_cod_original_cell_volume        371.7861
_cod_original_sg_symbol_Hall     'C 2y (z,y,-x)'
_cod_original_formula_sum        'H2 O10 P3 Yb1'
_cod_database_code               1530539
Synthesis and structure of Samarium tetrathiomonophosphate
Palkina, K.K.; Kuvshinova, T.B.; Chibiskova, N.T.; Maksimova, S.I.; Volodina, A.N.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 20 (1984) 1557–1560; doi:

data_1530540
_publ_section_title
;
 Synthesis and structure of Samarium tetrathiomonophosphate
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1557
_journal_page_last               1560
_journal_volume                  20
_journal_year                    1984
_chemical_formula_sum            'P S4 Sm'
_chemical_name_systematic        'Sm P S4'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.79
_cell_length_b                   10.79
_cell_length_c                   19.181
_cell_volume                     2233.131
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Palkina_IVNMAW_1984_1110.cif
_cod_data_source_block           P1S4Sm1
_cod_original_formula_sum        'P1 S4 Sm1'
_cod_database_code               1530540
Crystal structure of acid ytterbium hypophosphate Yb H P2 O6 (H2 O)3
Palkina, K.K.; Mironova, V.S.; Maksimova, S.I.; Chibiskova, N.T.; Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 20 (1984) 1889–1892; doi:

data_1530541
_publ_section_title
;
 Crystal structure of acid ytterbium hypophosphate Yb H P2 O6 (H2 O)3
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1889
_journal_page_last               1892
_journal_volume                  20
_journal_year                    1984
_chemical_formula_sum            'H7 O9 P2 Yb'
_chemical_name_systematic        'Yb H P2 O6 (H2 O)3'
_space_group_IT_number           34
_symmetry_space_group_name_Hall  'P -2n 2'
_symmetry_space_group_name_H-M   'P 2 n n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.325
_cell_length_b                   9.36
_cell_length_c                   11.575
_cell_volume                     793.605
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            Palkina_IVNMAW_1984_1111.cif
_cod_data_source_block           H7O9P2Yb1
_cod_original_cell_volume        793.6051
_cod_original_sg_symbol_Hall     'P 2 -2n (z,x,y)'
_cod_original_formula_sum        'H7 O9 P2 Yb1'
_cod_database_code               1530541
Crystal structure of the compound Cs Tb (P O3)4
Palkina, K.; Chibiskova, N.T.; Kuznetsova, V.G.; Maksimova, S.I.; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 4 (1978) 1092–1095; doi:

data_1530542
_publ_section_title
;
 Crystal structure of the compound Cs Tb (P O3)4
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              1092
_journal_page_last               1095
_journal_volume                  4
_journal_year                    1978
_chemical_formula_sum            'Cs O12 P4 Tb'
_chemical_name_systematic        'Cs Tb (P O3)4'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                100
_cell_formula_units_Z            2
_cell_length_a                   7.032
_cell_length_b                   8.705
_cell_length_c                   9.051
_cell_volume                     545.627
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Palkina_KOKHDC_1978_455.cif
_cod_data_source_block           Cs1O12P4Tb1
_cod_original_cell_volume        545.6267
_cod_original_sg_symbol_Hall     'P 2yb (z,x,y)'
_cod_original_formula_sum        'Cs1 O12 P4 Tb1'
_cod_database_code               1530542
Crystal structure and absolute configuration of cobalt-doped alpha-hexaaquazinc(II) selenate
Palmer, R.A.; Giles, H.F.jr.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1978 (1978) 977–980; doi:

data_4031484
_publ_section_title
;
 Crystal structure and absolute configuration of cobalt-doped
 alpha-hexaaquazinc(II) selenate
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              977
_journal_page_last               980
_journal_volume                  1978
_journal_year                    1978
_chemical_formula_sum            'Co0.38 H12 O10 Se Zn0.62'
_chemical_name_systematic        'Zn0.62 Co0.38 (H2 O)6 (Se O4)'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.953
_cell_length_b                   6.953
_cell_length_c                   18.33
_cell_volume                     886.149
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Palmer_JCDTBI_1978_331.cif
_cod_data_source_block           H12Co0.38O10Se1Zn0.62
_cod_original_cell_volume        886.1494
_cod_original_formula_sum        'H12 Co0.38 O10 Se1 Zn0.62'
_cod_database_code               4031484
Les vanadates Na3 Ln (V O4)2 (Ln = Pr, Nd, Sm, Eu, Gd, Tb)
Parent, C.; Fava, J.; Lemaitre-Blaise, M.; Vlasse, M.; le Flem, G.; Salmon, R.; Hagenmuller, P.; Caro, P.; Antic-Fidancev, E.; Nouveau Journal de Chimie 3 (1979) 523–527; doi:

data_1530543
_publ_section_title
;
 Les vanadates Na3 Ln (V O4)2 (Ln = Pr, Nd, Sm, Eu, Gd, Tb)
;
_journal_name_full               'Nouveau Journal de Chimie'
_journal_page_first              523
_journal_page_last               527
_journal_volume                  3
_journal_year                    1979
_chemical_formula_sum            'Na3 Nd O8 V2'
_chemical_name_systematic        'Na3 Nd (V O4)2'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.4
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   29.14
_cell_length_b                   5.574
_cell_length_c                   14.22
_cell_volume                     2309.013
_citation_journal_id_ASTM        NJCHD4
_cod_data_source_file            Parent_NJCHD4_1979_478.cif
_cod_data_source_block           Na3Nd1O8V2
_cod_original_formula_sum        'Na3 Nd1 O8 V2'
_cod_database_code               1530543
Flexibility of the framework of zeolite rho. Structural variation from 11 to 573 K. a study using neutron powder diffraction
Parise, J.B.; Abrams, L.; Gier, T.E.; Prince, E.; Corbin, D.R.; Jorgensen, J.D.; Journal of Physical Chemistry 88 (1984) 2303–2307; doi:

data_1530544
_publ_section_title
;
 Flexibility of the framework of zeolite rho. Structural variation from 11
 to 573 K. a study using neutron powder diffraction
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2303
_journal_page_last               2307
_journal_volume                  88
_journal_year                    1984
_chemical_formula_sum            'Al10 Cs2.7 D7.3 O96 Si38'
_chemical_name_systematic        'Cs2.7 D7.3 (Al10 Si38 O96)'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.601
_cell_length_b                   14.601
_cell_length_c                   14.601
_cell_volume                     3112.776
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Parise_JPCHAX_1984_1218.cif
_cod_data_source_block           D7.3Al10Cs2.7O96Si38
_cod_original_cell_volume        3112.775
_cod_original_formula_sum        'D7.3 Al10 Cs2.7 O96 Si38'
_cod_database_code               1530544
Flexibility of the framework of zeolite rho. Structural variation from 11 to 573 K. a study using neutron powder diffraction
Parise, J.B.; Gier, T.E.; Abrams, L.; Corbin, D.R.; Prince, E.; Jorgensen, J.D.; Journal of Physical Chemistry 88 (1984) 2303–2307; doi:

data_1530545
_publ_section_title
;
 Flexibility of the framework of zeolite rho. Structural variation from 11
 to 573 K. a study using neutron powder diffraction
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2303
_journal_page_last               2307
_journal_volume                  88
_journal_year                    1984
_chemical_formula_sum            'Al10 Cs3.78 D6.22 O96 Si38'
_chemical_name_systematic        'Cs3.78 D6.22 Si38 Al10 O96'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   14.758
_cell_length_b                   14.758
_cell_length_c                   14.758
_cell_volume                     3214.271
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Parise_JPCHAX_1984_1219.cif
_cod_data_source_block           D6.22Al10Cs3.78O96Si38
_cod_original_formula_sum        'D6.22 Al10 Cs3.78 O96 Si38'
_cod_database_code               1530545
Superconducting Tl2 Ba2 Cu O6: The orthorhombic form
Parise, J.B.; Gopalakrishnan, J.; Subramanian, M.A.; Sleight, A.W.; Journal of Solid State Chemistry 76 (1988) 432–436; doi:

data_1530546
_publ_section_title
;
 Superconducting Tl2 Ba2 Cu O6: The orthorhombic form
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              432
_journal_page_last               436
_journal_volume                  76
_journal_year                    1988
_chemical_formula_sum            'Ba2 Cu O6 Tl2'
_chemical_name_systematic        'Tl2 Ba2 Cu O6'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-A 2ab 2ab'
_symmetry_space_group_name_H-M   'A b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4967
_cell_length_b                   5.4651
_cell_length_c                   23.246
_cell_volume                     698.310
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Parise_JSSCBI_1988_1692.cif
_cod_data_source_block           Ba2Cu1O6Tl2
_cod_original_cell_volume        698.3102
_cod_original_sg_symbol_Hall     '-C 2ac 2 (z,x,y)'
_cod_original_formula_sum        'Ba2 Cu1 O6 Tl2'
_cod_database_code               1530546
The structure of the 44 K superconductor (Y1-x Cax) Ba2 Cu3 O6+delta (delta <= 0.2)
Parise, J.B.; McCarron, E.M.; Journal of Solid State Chemistry 83 (1989) 188–197; doi:

data_1530547
_publ_section_title
;
 The structure of the 44 K superconductor (Y1-x Cax) Ba2 Cu3 O6+delta
 (delta <= 0.2)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              188
_journal_page_last               197
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'Ba2 Ca0.15 Cu3 O6 Y0.85'
_chemical_name_systematic        '(Y0.85 Ca0.15) Ba2 Cu3 O6'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.862
_cell_length_b                   3.862
_cell_length_c                   11.844
_cell_volume                     176.654
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Parise_JSSCBI_1989_1892.cif
_cod_data_source_block           Ba2Ca0.15Cu3O6Y0.85
_cod_original_cell_volume        176.6538
_cod_database_code               1530547