LMucko/crystallography-open-database huggingface dataset:
Crystal structure of ammonium aluminum catena-[monohydrogen-monoborate- bis(monophosphate)], (NH~4~)Al[BP~2~O~8~(OH)]
Mi, Jin-Xiao; Huang, Ya-Xi; Deng, Jin-Feng; Borrmann, Horst; Zhao, Jing-Tai; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 305–306; doi:10.1524/ncrs.2002.217.1.305

data_8100728
_publ_section_title
;
 Crystal structure of ammonium aluminum catena-[monohydrogen-monoborate-
 bis(monophosphate)], (NH~4~)Al[BP~2~O~8~(OH)]
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              305
_journal_page_last               306
_journal_paper_doi               10.1524/ncrs.2002.217.1.305
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         '(NH4 )Al[BP2 O8 (OH)]  '
_chemical_formula_structural     '(NH4 )Al[BP2 O8 (OH)]  '
_chemical_formula_sum            'Al B H5 N O9 P2'
_chemical_formula_weight         262.78
_chemical_name_common            '(NH4 )Al[BP2 O8 (OH)]  '
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 103.670(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2344(15)
_cell_length_b                   8.3698(11)
_cell_length_c                   9.4130(18)
_cell_measurement_temperature    295(2)
_cell_volume                     706.92(2)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    2.469
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H5 Al1 B1 N1 O9 P2'
_cod_database_code               8100728
Crystal structure of ammonium indium di(hydrogenmonophosphate), (NH~4~) In[PO~3~(OH)]~2~
Mao, Shao-Yu; Li, Man-Rong; Mi, Jin-Xiao; Chen, Hao-Hong; Deng, Jin-Feng; Zhao, Jing-Tai; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 311–312; doi:

data_8100729
_publ_section_title
;
Crystal structure of ammonium indium di(hydrogenmonophosphate), (NH~4~)
In[PO~3~(OH)]~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              311
_journal_page_last               312
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         '(NH4 )In[P2 O6 (OH)2 ] '
_chemical_formula_structural     '(NH4) In[P2 O6 (OH)2]'
_chemical_formula_sum            'H6 In N O8 P2'
_chemical_formula_weight         324.82
_chemical_name_common            '(NH4 )In[P2 O6 (OH)2 ]'
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 116.205(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6004(4)
_cell_length_b                   8.2820(4)
_cell_length_c                   9.6693(3)
_cell_measurement_temperature    295(2)
_cell_volume                     689.79(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.128
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100729
Refinement of the crystal structure of dilanthanum diiron monoiodide, La~2~Fe~2~I
Mattausch, Hansjuergen; Oeckler, Oliver; Simon, Arndt; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 323–323; doi:

data_8100730
_publ_section_title
;
Refinement of the crystal structure of dilanthanum diiron monoiodide, 
La~2~Fe~2~I
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              323
_journal_page_last               323
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'La2 Fe2 I '
_chemical_formula_sum            'Fe2 I La2'
_chemical_formula_weight         516.42
_chemical_name_common            dilanthanum-diiron-monoiodide
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   4.1008(3)
_cell_length_b                   4.1008(3)
_cell_length_c                   17.983(2)
_cell_measurement_temperature    293(2)
_cell_volume                     261.90(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.549
_cod_original_formula_sum        'La2 Fe2 I '
_cod_database_code               8100730
Crystal structure of barium arsenide auride, Ba~8~As~5~Au
Nuss, Jürgen; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 313–313; doi:

data_8100731
_publ_section_title
;
Crystal structure of barium arsenide auride, Ba~8~As~5~Au
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              313
_journal_page_last               313
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'Ba8 As5 Au'
_chemical_formula_structural     'Ba8 As5 Au'
_chemical_formula_sum            'As5 Au Ba8'
_chemical_formula_weight         1670.29
_chemical_name_common            'barium arsenide auride'
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.9607(7)
_cell_length_b                   9.9607(7)
_cell_length_c                   9.9607(7)
_cell_measurement_temperature    293(2)
_cell_volume                     988.26(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.613
_cod_database_code               8100731
Redeterminaton of the crystal structure of praseodymium sulfate octahydrate, Pr~2~(SO~4~)~3~ · 8H~2~O
Zheng, Yue-Qing; Zhu, Yan-Jun; Lin, Jian-Li; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 299–300; doi:

data_8100732
_publ_section_title
;
Redeterminaton of the crystal structure of praseodymium sulfate octahydrate, 
Pr~2~(SO~4~)~3~ &#x00B7; 8H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              299
_journal_page_last               300
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Pr2 SO4)3 . 8H2 O'
_chemical_formula_sum            'H16 O20 Pr2 S3'
_chemical_formula_weight         714.13
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.800(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.700(2)
_cell_length_b                   6.861(1)
_cell_length_c                   18.453(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1691.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.804
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100732
Refinement of the crystal structure of erbium vanadium tetraboride, ErVB~4~
Chaban, Nadiya; Prots, Yurii; Kuz'ma, Yurii; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 315–316; doi:

data_8100733
_publ_section_title
;
Refinement of the crystal structure of erbium vanadium tetraboride, 
ErVB~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              315
_journal_page_last               316
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     ErVB4
_chemical_formula_sum            'B4 Er V'
_chemical_formula_weight         261.44
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.979(1)
_cell_length_b                   11.573(2)
_cell_length_c                   3.4340(6)
_cell_measurement_temperature    293(2)
_cell_volume                     237.62(7)
_diffrn_ambient_temperature      295.1500
_exptl_crystal_density_diffrn    7.308
_refine_diff_density_rms         0.264
_cod_database_code               8100733
Crystal structure of catena-octachlorotrisiloxane, Si~3~O~2~Cl~8~
Binnewies, M.; Borrmann, H.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 324–324; doi:

data_8100734
_publ_section_title
;
Crystal structure of catena-octachlorotrisiloxane, Si~3~O~2~Cl~8~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              324
_journal_page_last               324
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'Si3 O2 Cl8'
_chemical_formula_structural     (SiCl3)O(SiCl2)O(SiCl3)
_chemical_formula_sum            'Cl8 O2 Si3'
_chemical_formula_weight         399.87
_chemical_melting_point          227
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6694(14)
_cell_length_b                   20.317(3)
_cell_length_c                   6.1833(10)
_cell_measurement_temperature    90(2)
_cell_volume                     1340.3(3)
_diffrn_ambient_temperature      90(2)
_exptl_crystal_density_diffrn    1.982
_refine_ls_R_factor_obs          0.0234
_refine_ls_wR_factor_obs         0.0550
_cod_database_code               8100734
Crystal structure of decachloro-bicyclo[5.5.1]heptaoxatridecasilane, Si~6~O~7~Cl~10~
Binnewies, M.; Magull, J.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 325–326; doi:

data_8100735
_publ_section_title
;
Crystal structure of decachloro-bicyclo[5.5.1]heptaoxatridecasilane, 
Si~6~O~7~Cl~10~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              325
_journal_page_last               326
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'Si6 O7 Cl10'
_chemical_formula_structural     'Si6 O7 Cl10'
_chemical_formula_sum            'Cl10 O7 Si6'
_chemical_formula_weight         635.04
_chemical_name_common            decachloroheptaoxahexasiloxane
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.47(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.0940(10)
_cell_length_b                   20.676(4)
_cell_length_c                   8.295(2)
_cell_measurement_temperature    203(2)
_cell_volume                     1030.9(4)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    2.046
_refine_ls_R_factor_obs          0.0389
_refine_ls_wR_factor_obs         0.1137
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               8100735
Crystal structure of hexapotassium niobium triarsenide oxide, K~6~ [NbAs~3~O]
Nuss, Jürgen; Hönle, Wolfgang; von Schnering, Hans Georg; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 314–314; doi:

data_8100736
_publ_section_title
;
Crystal structure of hexapotassium niobium triarsenide oxide, K~6~
[NbAs~3~O]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              314
_journal_page_last               314
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'K6 Nb As3 O'
_chemical_formula_structural     'K6 [NbAs3 O]'
_chemical_formula_sum            'As3 K6 Nb O'
_chemical_formula_weight         568.27
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0409(5)
_cell_length_b                   11.0409(5)
_cell_length_c                   11.0409(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1345.90(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.804
_cod_depositor_comments
;
 Removing the _chemical_melting_point data item since it contained the
 _chemical_formula_sum data item value and not the melting temperature.

 Antanas Vaitkus,
 2017-09-27
;
_cod_database_code               8100736
Crystal structure of pentalanthanum bromotriindate, La~5~In~3~Br
Zheng, Chong; Li, Shoujian; Mattausch, Hansjürgen; Simon, Arndt; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 321–322; doi:

data_8100737
_publ_section_title
;
Crystal structure of pentalanthanum bromotriindate, La~5~In~3~Br
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              321
_journal_page_last               322
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'La5 In3 Br '
_chemical_formula_sum            'Br In3 La5'
_chemical_formula_weight         1118.92
_space_group_IT_number           193
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   9.828(2)
_cell_length_b                   9.828(2)
_cell_length_c                   6.829(3)
_cell_measurement_temperature    293(2)
_cell_volume                     571.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.506
_cod_original_formula_sum        'Br1 In3 La5'
_cod_database_code               8100737
Crystal structure of dirubidium hexachlorotungstate(IV), Rb~2~[WCl~6~]
Wang, Ping; Xu, Wei; Zheng, Yue-Qing; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 301–301; doi:

data_8100738
_publ_section_title
;
Crystal structure of dirubidium hexachlorotungstate(IV), Rb~2~[WCl~6~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              301
_journal_page_last               301
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Cl6 Rb2 W'
_chemical_formula_weight         567.49
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.957(1)
_cell_length_b                   9.957(1)
_cell_length_c                   9.957(1)
_cell_measurement_temperature    293(2)
_cell_volume                     987.1(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.819
_cod_database_code               8100738
Redetermination of the crystal structure of tetralithium mononitride monohydride, Li~4~NH
Niewa, Rainer; Zherebtsov, D.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 317–318; doi:

data_8100739
_publ_section_title
;
Redetermination of the crystal structure of tetralithium mononitride 
monohydride, Li~4~NH
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              317
_journal_page_last               318
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Li4 NH'
_chemical_formula_sum            'H Li4 N'
_chemical_formula_weight         42.78
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.8765(3)
_cell_length_b                   4.8765(3)
_cell_length_c                   9.8769(9)
_cell_measurement_temperature    293(2)
_cell_volume                     234.93(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.209
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'H1 Li4 N1'
_cod_database_code               8100739
Refinement of the crystal structure of zirconium dodecaboride, ZrB~12~, at 140 K and 293 K
Leithe-Jasper, A.; Sato, A.; Tanaka, T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 319–320; doi:

data_8100740
_publ_section_title
;
Refinement of the crystal structure of zirconium dodecaboride, ZrB~12~, 
at 140 K and 293 K
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              319
_journal_page_last               320
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Zr B12'
_chemical_formula_sum            'B12 Zr'
_chemical_formula_weight         220.94
_chemical_melting_point          2353
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.40430(10)
_cell_length_b                   7.40430(10)
_cell_length_c                   7.40430(10)
_cell_measurement_temperature    140
_cell_volume                     405.931(9)
_diffrn_ambient_temperature      140
_exptl_crystal_density_diffrn    3.615
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '140K' was changed to '140' - the
value should be numeric and without a unit
designator.

'_chemical_melting_point' value '2353K' was changed to
'2353' - the value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'B12 Zr1'
_cod_database_code               8100740
Crystal structure of dirubidium hexachlorotungstate(IV), Rb~2~[WCl~6~]
Leithe-Jasper, A.; Sato, A.; Tanaka, T.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 301–301; doi:

data_8100741
_publ_section_title
;
Crystal structure of dirubidium hexachlorotungstate(IV), Rb~2~[WCl~6~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              301
_journal_page_last               301
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'B12 Zr'
_chemical_formula_weight         220.94
_chemical_melting_point          2353
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.40750(10)
_cell_length_b                   7.40750(10)
_cell_length_c                   7.40750(10)
_cell_measurement_temperature    293
_cell_volume                     406.457(10)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    3.611
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '293K' was changed to '293' - the
value should be numeric and without a unit
designator.

'_chemical_melting_point' value '2353K' was changed to
'2353' - the value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100741
Crystal structure of E-1-(phenyl)-3-(4-hydroxyphenyl)-2-propene-1- one, C~15~H~12~O~2~
Gupta, Sakuntala; Henk, Schenk; Kees, Goubitz; Yeow, Yeap Guan; Sen Gupta, S.P.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 503–504; doi:

data_8100742
_publ_section_title
;
Crystal structure of E-1-(phenyl)-3-(4-hydroxyphenyl)-2-propene-1-
one, C~15~H~12~O~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              503
_journal_page_last               504
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C15 H12 O2'
_chemical_formula_sum            'C15 H12 O2'
_chemical_formula_weight         224.25
_chemical_name_common            YISI
_space_group_IT_number           19
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.3685(4)
_cell_length_b                   12.957(2)
_cell_length_c                   17.1740(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1194.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.247
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (18 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8100742