LMucko/crystallography-open-database huggingface dataset:
Bismuth magnesium titanate, an unusual new Perovskite
Suchow, L.; Journal of Inorganic and Nuclear Chemistry 30 (1968) 87–95; doi:

data_4031805
_publ_section_title
;
 Bismuth magnesium titanate, an unusual new Perovskite
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              87
_journal_page_last               95
_journal_volume                  30
_journal_year                    1968
_chemical_formula_sum            'Bi0.8 Mg0.5 O3 Ti0.65'
_chemical_name_systematic        '(Bi0.8 Mg0.2) (Mg0.3 Ti0.65) O3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.98
_cell_length_b                   3.98
_cell_length_c                   3.98
_cell_volume                     63.045
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Suchow_JINCAO_1968_1669.cif
_cod_data_source_block           Bi0.8Mg0.5O3Ti0.65
_cod_original_cell_volume        63.04479
_cod_database_code               4031805
Structure of Ammonium Calcium Phosphate Heptahydrate, Ca (N H4) P O4 (H2 O)7
Takagi, S.; Brown, W. E.; Mathew, M.; Acta Crystallographica C (39,1983-) 40 (1984) 1111–1113; doi:

data_2020384
_publ_section_title
;
 Structure of Ammonium Calcium Phosphate Heptahydrate, Ca (N H4) P O4 (H2
 O)7
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1111
_journal_page_last               1113
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Ca H18 N O11 P'
_chemical_name_systematic        'Ca N H4 P O4 (H2 O)7'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.62
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3
_cell_length_b                   11.929
_cell_length_c                   7.176
_cell_volume                     539.080
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Takagi_ACSCEE_1984_1337.cif
_cod_data_source_block           H18Ca1N1O11P1
_cod_original_cell_volume        539.0803
_cod_original_formula_sum        'H18 Ca1 N1 O11 P1'
_cod_database_code               2020384
Structures cristallines de Zr6 Cu8 Si12 et Hf2 Cu Ge4 et caracterisation d'une famille de composes semimetalliques "pseudolamellaires" de formule Zr Si2 Cux ou x= 0.5, 1 et 1.33
Thirion, F.; Steinmetz, J.; Venturini, G.; Malaman, B.; Roques, B.; Journal of the Less-Common Metals 95 (1983) 47–54; doi:

data_1542094
_publ_section_title
;
 Structures cristallines de Zr6 Cu8 Si12 et Hf2 Cu Ge4 et caracterisation
 d'une famille de composes semimetalliques "pseudolamellaires" de formule
 Zr Si2 Cux ou x= 0.5, 1 et 1.33
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              47
_journal_page_last               54
_journal_volume                  95
_journal_year                    1983
_chemical_formula_sum            'Cu Ge4 Hf2'
_chemical_name_systematic        'Hf2 Cu Ge4'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.758
_cell_length_b                   32.94
_cell_length_c                   3.749
_cell_volume                     464.083
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Thirion_JCOMAH_1983_1855.cif
_cod_data_source_block           Cu1Ge4Hf2
_cod_original_cell_volume        464.0831
_cod_original_formula_sum        'Cu1 Ge4 Hf2'
_cod_database_code               1542094
Non-stoichiometry in anion-excess Re O3 phases; the structure of Zr0.8 Yb0.2 F3.2 O0.3 (MX 3.5) by powder neutron diffraction
Tofield, B.C.; Poulain, M.; Lucas, J.; Journal of Solid State Chemistry 27 (1979) 163–178; doi:

data_1542095
_publ_section_title
;
 Non-stoichiometry in anion-excess Re O3 phases; the structure of Zr0.8
 Yb0.2 F3.2 O0.3 (MX 3.5) by powder neutron diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              163
_journal_page_last               178
_journal_volume                  27
_journal_year                    1979
_chemical_formula_sum            'F3.48 Yb0.2 Zr0.8'
_chemical_name_systematic        'Zr0.8 Yb0.2 F3.48'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.011
_cell_length_b                   4.011
_cell_length_c                   4.011
_cell_volume                     64.529
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tofield_JSSCBI_1979_1586.cif
_cod_data_source_block           F3.48Yb0.2Zr0.8
_cod_original_cell_volume        64.52946
_cod_database_code               1542095
The location of oxygen atoms in vanadium-oxygen alloys by means of neutron diffraction
Tucker, C.W.; Seybolt, A.U.; Sumsion, H.T.; Acta Metallurgica 1 (1953) 390–393; doi:

data_1542096
_publ_section_title
;
 The location of oxygen atoms in vanadium-oxygen alloys by means of
 neutron diffraction
;
_journal_name_full               'Acta Metallurgica'
_journal_page_first              390
_journal_page_last               393
_journal_volume                  1
_journal_year                    1953
_chemical_formula_sum            'O0.532 V'
_chemical_name_systematic        'V O.532'
_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_formula_units_Z            2
_cell_length_a                   2.94
_cell_length_b                   2.94
_cell_length_c                   3.5
_cell_volume                     30.253
_citation_journal_id_ASTM        AMETAR
_cod_data_source_file            Tucker_AMETAR_1953_1716.cif
_cod_data_source_block           O0.532V1
_cod_original_cell_volume        30.2526
_cod_original_formula_sum        'O0.532 V1'
_cod_database_code               1542096
Untersuchungen an quaternaeren Fluoriden Li M(II) M(III) F6. Ueber die Kationenverteilung in Fluortrirutilen
Viebahn, W.; Epple, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 427 (1976) 45–54; doi:

data_1542097
_publ_section_title
;
 Untersuchungen an quaternaeren Fluoriden Li M(II) M(III) F6. Ueber die
 Kationenverteilung in Fluortrirutilen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              45
_journal_page_last               54
_journal_volume                  427
_journal_year                    1976
_chemical_formula_sum            'Cr0.752 F6 Li0.752 Zn1.496'
_chemical_name_systematic        'Li.752 Zn1.496 Cr.752 F6'
_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_formula_units_Z            2
_cell_length_a                   4.658
_cell_length_b                   4.658
_cell_length_c                   9.16
_cell_volume                     198.744
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Viebahn_ZAACAB_1976_1069.cif
_cod_data_source_block           Cr0.752F6Li0.752Zn1.496
_cod_original_cell_volume        198.7442
_cod_database_code               1542097
Structure cristalline de l'oxyfluorure de tantale Ta3 O7 F-alpha
Vlasse, M.; Moriliere, C.; Pouchard, M.; Chaminade, J.P.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 98 (1975) 325–330; doi:

data_1542098
_publ_section_title
;
 Structure cristalline de l'oxyfluorure de tantale Ta3 O7 F-alpha
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              325
_journal_page_last               330
_journal_volume                  98
_journal_year                    1975
_chemical_formula_sum            'F O7 Ta3'
_chemical_name_systematic        'Ta3 O7 F'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.478
_cell_length_b                   10.496
_cell_length_c                   3.907
_cell_volume                     265.649
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Vlasse_BUFCAE_1975_65.cif
_cod_data_source_block           F1O7Ta3
_cod_original_formula_sum        'F1 O7 Ta3'
_cod_database_code               1542098
An electron-diffraction study of the crystal structure of Pb C O3 Pb O (H2 O)2
Voronova, A.A.; Vainshtein, B.K.; Kristallografiya 9 (1964) 197–203; doi:

data_1542099
_publ_section_title
;
 An electron-diffraction study of the crystal structure of Pb C O3 Pb O
 (H2 O)2
;
_journal_name_full               Kristallografiya
_journal_page_first              197
_journal_page_last               203
_journal_volume                  9
_journal_year                    1964
_chemical_formula_sum            'C H4 O6 Pb2'
_chemical_name_systematic        'Pb2 O (C O3) (H2 O)2'
_space_group_IT_number           160
_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                   5.23
_cell_length_b                   5.23
_cell_length_c                   23.81999
_cell_volume                     564.255
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Voronova_KRISAJ_1964_1677.cif
_cod_data_source_block           C1H4O6Pb2
_cod_original_cell_volume        564.2552
_cod_original_formula_sum        'C1 H4 O6 Pb2'
_cod_database_code               1542099
Lattice parameters and infrared spectra of some inorganic cyanates.
Waddington, T.C.; Journal of the Chemical Society 1959 (1959) 2499–2502; doi:

data_1542100
_publ_section_title
;
 Lattice parameters and infrared spectra of some inorganic cyanates.
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              2499
_journal_page_last               2502
_journal_volume                  1959
_journal_year                    1959
_chemical_formula_sum            'C N O Rb'
_chemical_name_systematic        'Rb (O C N)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.35
_cell_length_b                   6.35
_cell_length_c                   7.38
_cell_volume                     297.580
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Waddington_JCSOA9_1959_2.cif
_cod_data_source_block           C1N1O1Rb1
_cod_original_cell_volume        297.58
_cod_original_formula_sum        'C1 N1 O1 Rb1'
_cod_database_code               1542100
The crystal structure of the Pb0.5 Th0.5 V O4 polymorphs with scheelite-, zircon- and huttonite-type structure
Andreetti, G.D.; Calestani, G.; Montenero, A.; Zeitschrift fuer Kristallographie (149,1979-) 168 (1984) 41–51; doi:

data_8104462
_publ_section_title
;
 The crystal structure of the Pb0.5 Th0.5 V O4 polymorphs with scheelite-,
 zircon- and huttonite-type structure
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              41
_journal_page_last               51
_journal_volume                  168
_journal_year                    1984
_chemical_formula_sum            'O4 Pb0.5 Th0.5 V'
_chemical_name_systematic        'Pb0.5 Th0.5 (V O4)'
_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                 105.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.046
_cell_length_b                   7.3089
_cell_length_c                   6.8066
_cell_volume                     337.286
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Andreetti_ZEKRDZ_1984_1942.cif
_cod_data_source_block           O4Pb0.5Th0.5V1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'O4 Pb0.5 Th0.5 V1'
_cod_database_code               8104462
Lattice parameters and infrared spectra of some inorganic cyanates.
Waddington, T.C.; Journal of the Chemical Society 1959 (1959) 2499–2502; doi:

data_1542101
_publ_section_title
;
 Lattice parameters and infrared spectra of some inorganic cyanates.
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              2499
_journal_page_last               2502
_journal_volume                  1959
_journal_year                    1959
_chemical_formula_sum            'C Cs N O'
_chemical_name_systematic        'Cs (O C N)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.71
_cell_length_b                   6.71
_cell_length_c                   8.04
_cell_volume                     361.994
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Waddington_JCSOA9_1959_3.cif
_cod_data_source_block           C1Cs1N1O1
_cod_original_cell_volume        361.9938
_cod_original_formula_sum        'C1 Cs1 N1 O1'
_cod_database_code               1542101
Lattice parameters and infrared spectra of some inorganic cyanates.
Waddington, T.C.; Journal of the Chemical Society 1959 (1959) 2499–2502; doi:

data_1542102
_publ_section_title
;
 Lattice parameters and infrared spectra of some inorganic cyanates.
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              2499
_journal_page_last               2502
_journal_volume                  1959
_journal_year                    1959
_chemical_formula_sum            'C N O Tl'
_chemical_name_systematic        'Tl (O C N)'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.232
_cell_length_b                   6.232
_cell_length_c                   7.32
_cell_volume                     284.293
_citation_journal_id_ASTM        JCSOA9
_cod_data_source_file            Waddington_JCSOA9_1959_4.cif
_cod_data_source_block           C1N1O1Tl1
_cod_original_cell_volume        284.2929
_cod_original_formula_sum        'C1 N1 O1 Tl1'
_cod_database_code               1542102
Crystal structure of decapotassium hexabismutidodistannate
Asbrand, M.; Eisenmann, B.; Zeitschrift fuer Kristallographie (149,1979-) 205 (1993) 323–324; doi:

data_8104463
_publ_section_title
;
 Crystal structure of decapotassium hexabismutidodistannate
;
_journal_name_full               'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              323
_journal_page_last               324
_journal_volume                  205
_journal_year                    1993
_chemical_formula_sum            'Bi6 K10 Sn2'
_chemical_name_systematic        'K10 (Sn2 Bi6)'
_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                 90.06
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.35
_cell_length_b                   8.818
_cell_length_c                   10.105
_cell_volume                     1456.881
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Asbrand_ZEKRDZ_1993_1533.cif
_cod_data_source_block           Bi6K10Sn2
_cod_original_cell_volume        1456.88
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               8104463
Mitteilungen ueber Interchalkogen-Verbindungen. II. Die Kristall- und Molekuelstrukturen von 8,8-Dichlor-1,2,3,4,5,6,7,8-heptathiatellur(IV)-otcan, Cl2 Te S7 und von 8,8-Dibrom-1,2,3,4,5,6,7,8-heptathiatellur(VI)-octan, Br2 Te S7
Weiss, J.; Pupp, M.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 3653–3655; doi:

data_2107415
_publ_section_title
;
 Mitteilungen ueber Interchalkogen-Verbindungen. II. Die Kristall- und
 Molekuelstrukturen von
 8,8-Dichlor-1,2,3,4,5,6,7,8-heptathiatellur(IV)-otcan, Cl2 Te S7 und von
 8,8-Dibrom-1,2,3,4,5,6,7,8-heptathiatellur(VI)-octan, Br2 Te S7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3653
_journal_page_last               3655
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cl2 S7 Te'
_chemical_name_systematic        'Cl2 Te S7'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.817
_cell_length_b                   9.033
_cell_length_c                   13.305
_cell_volume                     1059.663
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Weiss_ACBCAR_1972_776.cif
_cod_data_source_block           Cl2S7Te1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,-x,z)'
_cod_original_formula_sum        'Cl2 S7 Te1'
_cod_database_code               2107415
The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4
Aurivillius, B.; Loewenhielm, A.; Acta Chemica Scandinavica (1-27,1973-42,1988) 18 (1964) 1937–1957; doi:

data_1542103
_publ_section_title
;
 The crystal structure of the orthorhombic modification of Bi O H Cr O4. A
 refinement of the structure of monoclinic Bi O H Cr O4
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1937
_journal_page_last               1957
_journal_volume                  18
_journal_year                    1964
_chemical_formula_sum            'Bi Cr H O5'
_chemical_name_systematic        'Bi (Cr O4 (O H))'
_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                 93.12
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.625
_cell_length_b                   9.592
_cell_length_c                   7.476
_cell_volume                     402.770
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Aurivillius_ACSAA4_1964_724.cif
_cod_data_source_block           H1Bi1Cr1O5
_cod_original_cell_volume        402.7697
_cod_original_formula_sum        'H1 Bi1 Cr1 O5'
_cod_database_code               1542103
Mitteilungen ueber Interchalkogen-Verbindungen. II. Die Kristall- und Molekuelstrukturen von 8,8-Dichlor-1,2,3,4,5,6,7,8-heptathiatellur(IV)-octan, Cl2 Te S7 und von 8,8-Dibrom-1,2,3,4,5,6,7,8-heptathiatellur(IV)-octan, Br2 Te S7
Weiss, J.; Pupp, M.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 3653–3655; doi:

data_2107416
_publ_section_title
;
 Mitteilungen ueber Interchalkogen-Verbindungen. II. Die Kristall- und
 Molekuelstrukturen von
 8,8-Dichlor-1,2,3,4,5,6,7,8-heptathiatellur(IV)-octan, Cl2 Te S7 und von
 8,8-Dibrom-1,2,3,4,5,6,7,8-heptathiatellur(IV)-octan, Br2 Te S7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3653
_journal_page_last               3655
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Br2 S7 Te'
_chemical_name_systematic        'Br2 Te S7'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.858
_cell_length_b                   9.479
_cell_length_c                   13.344
_cell_volume                     1120.429
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Weiss_ACBCAR_1972_784.cif
_cod_data_source_block           Br2S7Te1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,-x,z)'
_cod_original_formula_sum        'Br2 S7 Te1'
_cod_database_code               2107416
Crystal structure of paracelsian
Bakakin, V.V.; Belov, N.V.; Kristallografiya 5 (1960) 864–868; doi:

data_1542104
_publ_section_title
;
 Crystal structure of paracelsian
;
_journal_name_full               Kristallografiya
_journal_page_first              864
_journal_page_last               868
_journal_volume                  5
_journal_year                    1960
_chemical_formula_sum            'Al2 Ba O8 Si2'
_chemical_name_systematic        'Ba (Al2 Si2 O8)'
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.08
_cell_length_b                   9.58
_cell_length_c                   8.58
_cell_volume                     746.343
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Bakakin_KRISAJ_1960_36.cif
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_cod_original_formula_sum        'Al2 Ba1 O8 Si2'
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