LMucko/crystallography-open-database huggingface dataset:
Structure of <i>trans</i>,<i>trans</i>-4,4'-di(methoxycarbonylimino)dicyclohexylmethane: a model for <i>trans</i>,<i>trans</i>-4,4'-diisocyanatodicyclohexylmethane/1,4-butanediol-based units in polyurethane hard segments
Milius, W.; Steinlein, C.; Eisenbach, C. D.; Acta Crystallographica Section B 50 (1994) 455–458; doi:10.1107/S0108768193013850

data_2101186
_publ_section_title
;Structure of
 <i>trans</i>,<i>trans</i>-4,4'-di(methoxycarbonylimino)dicyclohexylmethane: a
 model for
 <i>trans</i>,<i>trans</i>-4,4'-diisocyanatodicyclohexylmethane/1,4-butanediol-based
 units in polyurethane hard segments
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              455
_journal_page_last               458
_journal_paper_doi               10.1107/S0108768193013850
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C17 H30 N2 O4'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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                 116.59(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.963(4)
_cell_length_b                   6.290(2)
_cell_length_c                   18.214(4)
_cell_volume                     1840.3(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_meas      1.16
_exptl_crystal_F_000             712
_cod_data_source_file            se0135.cif
_cod_data_source_block           se0135a
_cod_original_cell_volume        1840.3(8)
_cod_database_code               2101186
Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate
Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.; Acta Crystallographica Section B 50 (1994) 601–607; doi:10.1107/S0108768194002582

data_2101188
_publ_section_title
;
 Crystal structures, chiralities and photochemistry of two polymorphs
 of <small>L</small>-prolinolium
 \a-adamantylacetophenone-<i>p</i>-carboxylate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              601
_journal_page_last               607
_journal_paper_doi               10.1107/S0108768194002582
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C24 H33 N O4'
_chemical_formula_weight         399.53
_symmetry_cell_setting           orthorhombic
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.266(2)
_cell_length_b                   19.292(3)
_cell_length_c                   6.3739(9)
_cell_volume                     2123.1(5)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.64
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_F_000             864
_cod_data_source_file            br0026.cif
_cod_data_source_block           br0026a
_cod_original_cell_volume        2123.0(10)
_cod_original_formula_sum        'C24 H33 N1 O4'
_cod_database_code               2101188
Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate
Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.; Acta Crystallographica Section B 50 (1994) 601–607; doi:10.1107/S0108768194002582

data_2101189
_publ_section_title
;
 Crystal structures, chiralities and photochemistry of two polymorphs
 of <small>L</small>-prolinolium
 \a-adamantylacetophenone-<i>p</i>-carboxylate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              601
_journal_page_last               607
_journal_paper_doi               10.1107/S0108768194002582
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C24 H33 N O4'
_chemical_formula_weight         399.53
_symmetry_cell_setting           orthorhombic
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.7980(10)
_cell_length_b                   43.563(3)
_cell_length_c                   8.4434(8)
_cell_volume                     4339.5(6)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.62
_exptl_crystal_density_diffrn    1.22
_exptl_crystal_F_000             1728
_cod_data_source_file            br0026.cif
_cod_data_source_block           br0026b
_cod_original_cell_volume        4340.0(10)
_cod_original_formula_sum        'C24 H33 N1 O4'
_cod_database_code               2101189
Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate
Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.; Acta Crystallographica Section B 50 (1994) 601–607; doi:10.1107/S0108768194002582

data_2101190
_publ_section_title
;
 Crystal structures, chiralities and photochemistry of two polymorphs
 of <small>L</small>-prolinolium
 \a-adamantylacetophenone-<i>p</i>-carboxylate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              601
_journal_page_last               607
_journal_paper_doi               10.1107/S0108768194002582
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C24 H33 N1 O4 , C24 H33 N1 O4 , H2 O'
_chemical_formula_sum            'C48 H68 N2 O9'
_chemical_formula_weight         817.08
_symmetry_cell_setting           orthorhombic
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.021(2)
_cell_length_b                   56.481(8)
_cell_length_c                   6.8400(10)
_cell_volume                     4257.7(12)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.66
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_F_000             1768
_cod_data_source_file            br0026.cif
_cod_data_source_block           br0026c
_cod_original_cell_volume        4258(2)
_cod_database_code               2101190
Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate
Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.; Acta Crystallographica Section B 50 (1994) 597–600; doi:10.1107/S0108768194002594

data_2101191
_publ_section_title
;
 Crystal structure and photochemistry of dimethyl
 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              597
_journal_page_last               600
_journal_paper_doi               10.1107/S0108768194002594
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C20 H22 O4'
_chemical_formula_weight         326.39
_symmetry_cell_setting           monoclinic
_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                 105.700(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6430(10)
_cell_length_b                   9.2880(10)
_cell_length_c                   15.1530(10)
_cell_volume                     1713.0(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.67
_exptl_crystal_density_diffrn    1.27
_exptl_crystal_F_000             696
_cod_data_source_file            br0027.cif
_cod_data_source_block           1b
_cod_original_cell_volume        1713.0(10)
_cod_database_code               2101191
Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate
Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.; Acta Crystallographica Section B 50 (1994) 597–600; doi:10.1107/S0108768194002594

data_2101192
_publ_section_title
;
 Crystal structure and photochemistry of dimethyl
 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              597
_journal_page_last               600
_journal_paper_doi               10.1107/S0108768194002594
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C20 H22 O4'
_chemical_formula_weight         326.39
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3250(10)
_cell_length_b                   14.7810(10)
_cell_length_c                   15.5350(10)
_cell_volume                     1682.0(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.68
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_F_000             696
_cod_data_source_file            br0027.cif
_cod_data_source_block           2b
_cod_original_cell_volume        1682.0(10)
_cod_database_code               2101192
Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate
Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.; Acta Crystallographica Section B 50 (1994) 597–600; doi:10.1107/S0108768194002594

data_2101193
_publ_section_title
;
 Crystal structure and photochemistry of dimethyl
 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              597
_journal_page_last               600
_journal_paper_doi               10.1107/S0108768194002594
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C20 H22 O4'
_chemical_formula_weight         326.39
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.716(2)
_cell_length_b                   15.298(2)
_cell_length_c                   13.210(3)
_cell_volume                     3580.2(10)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.64
_exptl_crystal_density_diffrn    1.21
_exptl_crystal_F_000             1392
_cod_data_source_file            br0027.cif
_cod_data_source_block           3b
_cod_original_cell_volume        3580(2)
_cod_database_code               2101193
Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines
Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I.; Acta Crystallographica Section B 50 (1994) 582–588; doi:10.1107/S0108768194004192

data_2101194
_publ_section_title
;
 Structure of oxidized forms of neodymium and praseodymium
 (bis)phthalocyanines
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              582
_journal_page_last               588
_journal_paper_doi               10.1107/S0108768194004192
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C64 H32 N16 Nd'
_chemical_formula_weight         1169
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2b'
_symmetry_space_group_name_H-M   'P 4/n n c {origin @ -1 @ n n (n,c)}'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   19.544(2)
_cell_length_b                   19.544(2)
_cell_length_c                   6.5140(10)
_cell_volume                     2488.1(5)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.107
_exptl_crystal_density_diffrn    1.561
_cod_data_source_file            cr0455.cif
_cod_data_source_block           cr0455a
_cod_original_cell_volume        2488
_cod_database_code               2101194
Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines
Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I.; Acta Crystallographica Section B 50 (1994) 582–588; doi:10.1107/S0108768194004192

data_2101195
_publ_section_title
;
 Structure of oxidized forms of neodymium and praseodymium
 (bis)phthalocyanines
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              582
_journal_page_last               588
_journal_paper_doi               10.1107/S0108768194004192
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C64 H32 N16 Pr'
_chemical_formula_weight         1166
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2b'
_symmetry_space_group_name_H-M   'P 4/n n c {origin @ -1 @ n n (n,c)}'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   20.066(7)
_cell_length_b                   20.066(7)
_cell_length_c                   6.463(2)
_cell_volume                     2602.3(15)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.00
_exptl_crystal_density_diffrn    1.488
_cod_data_source_file            cr0455.cif
_cod_data_source_block           cr0455b
_cod_original_cell_volume        2602
_cod_database_code               2101195
A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~
Thomas, P. A.; Duhlev, R.; Teat, S. J.; Acta Crystallographica Section B 50 (1994) 538–543; doi:10.1107/S0108768194003150

data_2101196
_publ_section_title
;
 A comparative structural study of a flux-grown crystal of
 K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of
 K~0.84~Rb~0.16~TiOPO~4~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              538
_journal_page_last               543
_journal_paper_doi               10.1107/S0108768194003150
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'K0.86 O5 P Rb0.14 Ti'
_chemical_formula_weight         204.44
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.8500(8)
_cell_length_b                   6.4136(3)
_cell_length_c                   10.5912(7)
_cell_volume                     872.87(9)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.74
_exptl_crystal_density_diffrn    3.11
_cod_data_source_file            ha0130.cif
_cod_data_source_block           ha0130a
_cod_original_cell_volume        872.9(2)
_cod_original_formula_sum        'K0.86 O5 P1 Rb0.14 Ti1'
_cod_database_code               2101196
A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~
Thomas, P. A.; Duhlev, R.; Teat, S. J.; Acta Crystallographica Section B 50 (1994) 538–543; doi:10.1107/S0108768194003150

data_2101197
_publ_section_title
;
 A comparative structural study of a flux-grown crystal of
 K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of
 K~0.84~Rb~0.16~TiOPO~4~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              538
_journal_page_last               543
_journal_paper_doi               10.1107/S0108768194003150
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'K0.84 O5 P Rb0.16 Ti'
_chemical_formula_weight         205.34
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.858(3)
_cell_length_b                   6.4125(7)
_cell_length_c                   10.5920(10)
_cell_volume                     873.3(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    5.06
_exptl_crystal_density_diffrn    3.12
_cod_data_source_file            ha0130.cif
_cod_data_source_block           ha0130b
_cod_original_cell_volume        873.3(4)
_cod_original_formula_sum        'K0.84 O5 P1 Rb0.16 Ti1'
_cod_database_code               2101197
Structural relations and tetrahedral ordering pattern of synthetic orthorhombic Cs~2~CdSi~5~O~12~ leucite: a combined synchrotron X-ray powder diffraction and multinuclear MAS NMR study
Bell, A. M. T.; Redfern, S. A. T.; Henderson, C. M. B.; Kohn, S. C.; Acta Crystallographica Section B 50 (1994) 560–566; doi:10.1107/S0108768194003393

data_2101198
_publ_section_title
;
 Structural relations and tetrahedral ordering pattern of synthetic
 orthorhombic Cs~2~CdSi~5~O~12~ leucite: a combined synchrotron X-ray
 powder diffraction and multinuclear MAS NMR study
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              560
_journal_page_last               566
_journal_paper_doi               10.1107/S0108768194003393
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Cd Cs2 O12 Si5'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.67140(10)
_cell_length_b                   13.82400(10)
_cell_length_c                   13.89390(10)
_cell_volume                     2625.86(3)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .1
_cod_data_source_file            li0172.cif
_cod_data_source_block           li0172a
_cod_original_cell_volume        2625.83(6)
_cod_original_formula_sum        'Cd1 Cs2 O12 Si5'
_cod_database_code               2101198
Crystallography of metal picrates. II. Crystal structure of yellow thallium(I) picrate; relations among various M(I) picrate phases
Botoshansky, M.; Herbstein, F. H.; Kapon, M.; Acta Crystallographica Section B 50 (1994) 589–596; doi:10.1107/S0108768194001746

data_2101199
_publ_section_title
;
 Crystallography of metal picrates. II. Crystal structure of yellow
 thallium(I) picrate; relations among various M(I) picrate phases
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              589
_journal_page_last               596
_journal_paper_doi               10.1107/S0108768194001746
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C6 H2 N3 O7 , Tl'
_chemical_formula_sum            'C6 H2 N3 O7 Tl'
_chemical_formula_weight         432.47
_symmetry_cell_setting           monoclinic
_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                 91.06(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.431(5)
_cell_length_b                   15.830(5)
_cell_length_c                   3.951(2)
_cell_volume                     965.0(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    16.2
_exptl_crystal_density_diffrn    2.978
_exptl_crystal_density_meas      2.993
_exptl_crystal_F_000             784
_cod_data_source_file            mu0313.cif
_cod_data_source_block           mu0313a
_cod_original_cell_volume        965.0
_cod_database_code               2101199
Low-temperature structure of lithium nesosilicate, Li~4~SiO~4~, and its Li~1<i>s~</i> and O~1<i>s~</i> X-ray photoelectron spectrum
de Jong, B. H. W. S.; Ellerbroek, D.; Spek, A. L.; Acta Crystallographica Section B 50 (1994) 511–518; doi:10.1107/S0108768194002375

data_2101200
_publ_section_title
;
 Low-temperature structure of lithium nesosilicate, Li~4~SiO~4~, and
 its Li~1<i>s~</i> and O~1<i>s~</i> X-ray photoelectron spectrum
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              511
_journal_page_last               518
_journal_paper_doi               10.1107/S0108768194002375
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Li4 O4 Si'
_chemical_formula_weight         119.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.040(10)
_cell_angle_gamma                90
_cell_formula_units_Z            14
_cell_length_a                   11.5320(10)
_cell_length_b                   6.0750(10)
_cell_length_c                   16.6780(10)
_cell_volume                     1153.9(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.53
_exptl_crystal_density_diffrn    2.414
_exptl_crystal_F_000             812
_cod_data_source_file            na0052.cif
_cod_data_source_block           na0052a
_cod_depositor_comments
;
 Marking atom disorder after consulting the original publication. Marking
 atoms 'Li(50)' nad 'Li(51)' as belonging to disorder group 'A', assemblies
 '1' and '2' respectively. Marking atoms 'Li(60)' and 'Li(65)' as belonging
 to disorder group 'B', assemblies '1' and '2' respectively.

 Antanas Vaitkus,
 2018-01-30
;
_cod_original_formula_sum        'Li4 O4 Si1'
_cod_database_code               2101200