LMucko/crystallography-open-database huggingface dataset:
Crystal structure of ammonium [monozinco-monoboro-diphosphate], NH~4~ [ZnBP~2~O~8~]
Kniep, Rüdiger; Schäfer, Gerd; Borrmann, Horst; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 335–336; doi:

data_8101310
_publ_section_title
;
Crystal structure of ammonium [monozinco-monoboro-diphosphate], NH~4~
[ZnBP~2~O~8~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              335
_journal_page_last               336
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'N H4[Zn B P2 O8]'
_chemical_formula_sum            'B H4 N O8 P2 Zn'
_chemical_formula_weight         284.16
_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                 91.024(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.848(3)
_cell_length_b                   12.896(3)
_cell_length_c                   8.5187(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1411.2(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.675
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H4 B N O8 P2 Zn'
_cod_database_code               8101310
Crystal structure of bismuth selenite, Bi~2~(SeO~3~)~3~
Rademacher, O.; Göbel, H.; Oppermann, H.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 339–340; doi:

data_8101311
_publ_section_title
;
Crystal structure of bismuth selenite, Bi~2~(SeO~3~)~3~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              339
_journal_page_last               340
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Bi2 (Se O3)3'
_chemical_formula_sum            'Bi2 O9 Se3'
_chemical_formula_weight         798.66
_chemical_name_common            'bismute selenite'
_chemical_temperature_decomposition 853(5)
_space_group_IT_number           14
_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                90.000(6)
_cell_angle_beta                 115.164(4)
_cell_angle_gamma                90.000(4)
_cell_formula_units_Z            4
_cell_length_a                   13.4912(10)
_cell_length_b                   4.675
_cell_length_c                   14.9614(10)
_cell_measurement_temperature    293(2)
_cell_volume                     854.08(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.211
_cod_depositor_comments
;
'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been
'853 +- 5 K decomposition'. The value '853 +- 5 K decomposition' was
changed to '853(5)'.

Adriana Da\<skevi\<c, 2011-07-13
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101311
Crystal structure of aluminium cyclononaphosphate, Al~3~P~9~O~27~
Fratzky, Dietmar; Scheneider, Matthias; Meisel, Manfred; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 341–342; doi:

data_8101312
_publ_section_title
;
Crystal structure of aluminium cyclononaphosphate, Al~3~P~9~O~27~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              341
_journal_page_last               342
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety
;
3Al^n-^  [P~9~O~27~]^9-^
;
_chemical_formula_structural     'Al3 P9 O27'
_chemical_formula_sum            'Al3 O27 P9'
_chemical_formula_weight         791.4
_chemical_name_common
;
aluminium cyclononaphosphate
;
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            8
_cell_length_a                   10.935(2)
_cell_length_b                   10.935(2)
_cell_length_c                   9.191(2)
_cell_measurement_temperature    293(2)
_cell_volume                     951.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.702
_cod_database_code               8101312
Crystal structure of cesium ortho-selenosilicate, Cs~4~SiSe~4~
Schlirf, Jens; Deiseroth, Hans Jörg; Nilges, Tom; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 343–344; doi:

data_8101313
_publ_section_title
;
Crystal structure of cesium ortho-selenosilicate, Cs~4~SiSe~4~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              343
_journal_page_last               344
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'Cs4 Se4 Si'
_chemical_formula_weight         875.57
_space_group_IT_number           218
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.147(3)
_cell_length_b                   14.147(3)
_cell_length_c                   14.147(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2831.3(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.108
_cod_database_code               8101313
Crystal structure of pentastrontium tris(phosphate) bromide, Sr~5~ (PO~4~)~3~Br and of pentabarium tris(phosphate) bromide
Alberius-Henning, Peter; Mattsson, Charlotte; Lidin,Sven; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 345–346; doi:

data_8101314
_publ_section_title
;
Crystal structure of pentastrontium tris(phosphate) bromide, Sr~5~
(PO~4~)~3~Br and of pentabarium tris(phosphate) bromide
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              345
_journal_page_last               346
_journal_volume                  215
_journal_year                    2000
_chemical_formula_iupac          '[Sr5 (P O4)3 Br]'
_chemical_formula_sum            'Br O12 P3 Sr5'
_chemical_formula_weight         802.9
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.972(1)
_cell_length_b                   9.972
_cell_length_c                   7.214(1)
_cell_measurement_temperature    293
_cell_volume                     621.4
_exptl_crystal_density_diffrn    4.278
_refine_ls_R_factor_obs          0.0424
_refine_ls_wR_factor_obs         0.0236
_cod_original_formula_sum        'Br1 O12 P3 Sr5'
_cod_database_code               8101314
Crystal structure of pentastrontium tris(phosphate) bromide, Sr~5~(PO~4~)~3~Br and of pentabarium tris(phosphate) bromide
Alberius-Henning, Peter; Mattson, Charlotte; Lidin, Sven; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 345–346; doi:

data_8101315
_publ_section_title
;
Crystal structure of pentastrontium tris(phosphate) bromide, 
Sr~5~(PO~4~)~3~Br and of pentabarium tris(phosphate) bromide
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              345
_journal_page_last               346
_journal_volume                  215
_journal_year                    2000
_chemical_formula_iupac          '[Ba5 (P O4)3 Br]'
_chemical_formula_sum            'Ba5 Br O12 P3'
_chemical_formula_weight         1051.5
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.342(2)
_cell_length_b                   10.342
_cell_length_c                   7.673(2)
_cell_measurement_temperature    293
_cell_volume                     710.70
_exptl_crystal_density_diffrn    4.938
_refine_ls_R_factor_obs          0.0221
_refine_ls_wR_factor_obs         0.0154
_cod_original_formula_sum        'Ba5 Br1 O12 P3'
_cod_database_code               8101315
Crystal structure of tetrapotassium hexatellurodistannate, K~4~Sn~2~Te~6~
Evenson, IV, Carl R.; Dorhout, Peter K.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 318–318; doi:

data_8101316
_publ_section_title
;
Crystal structure of tetrapotassium hexatellurodistannate, K~4~Sn~2~Te~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              318
_journal_page_last               318
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'K4 Sn2 Te6'
_chemical_formula_weight         1159.38
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.1511(4)
_cell_length_b                   8.62770(10)
_cell_length_c                   8.6536(2)
_cell_measurement_temperature    170(2)
_cell_volume                     1728.48(5)
_diffrn_ambient_temperature      170(2)
_exptl_crystal_density_diffrn    4.455
_refine_ls_R_factor_obs          0.0302
_refine_ls_wR_factor_obs         0.0650
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101316
Crystal structure of tribromoselenium(IV) tetrabromogallate(III), [SeBr~3~][GaBr~4~]
Schulz Lang, Ernesto; Burrow, Robert Alan; Diniz, Juraci; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 351–351; doi:

data_8101317
_publ_section_title
;
Crystal structure of tribromoselenium(IV) tetrabromogallate(III), 
[SeBr~3~][GaBr~4~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              351
_journal_page_last               351
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Br7 Ga Se'
_chemical_formula_structural     '[Se Br3] [Ga Br4]'
_chemical_formula_sum            'Br7 Ga Se'
_chemical_formula_weight         708.05
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.10(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.5940(10)
_cell_length_b                   6.547(2)
_cell_length_c                   14.316(3)
_cell_measurement_temperature    208(2)
_cell_volume                     606.5(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.877
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               8101317
Crystal structure of decapotassium hexaarsenidodistannate(IV), K~10~[Sn~2~As~6~]
Eisenmann, Brigitte; Rössler, Ute; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 347–348; doi:

data_8101318
_publ_section_title
;
Crystal structure of decapotassium hexaarsenidodistannate(IV), 
K~10~[Sn~2~As~6~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              347
_journal_page_last               348
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'K10 [Sn2 As6]'
_chemical_formula_sum            'As6 K10 Sn2'
_chemical_formula_weight         1077.90
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.1959(9)
_cell_length_b                   8.2988(7)
_cell_length_c                   9.2190(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1162.6(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.079
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101318
Crystal structure of potassium tetrabarium tribismutide oxide, KBa~4~Bi~3~O
Eisenmann, Brigitte; Rössler, Ute; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 349–350; doi:

data_8101319
_publ_section_title
;
Crystal structure of potassium tetrabarium tribismutide oxide, KBa~4~Bi~3~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              349
_journal_page_last               350
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'Ba4 Bi3 K O'
_chemical_formula_weight         1231.40
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9675(14)
_cell_length_b                   8.9675(15)
_cell_length_c                   16.664(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1340.1(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.104
_cod_database_code               8101319
Crystal structure of trimercury(II) dihydrogenhexaoxoiodate(VII), Hg~3~(H~2~IO~6~)~2~
Mormann, Thomas J.; Jeitschko, Wolfgang; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 315–316; doi:

data_8101320
_publ_section_title
;
Crystal structure of trimercury(II) dihydrogenhexaoxoiodate(VII), 
Hg~3~(H~2~IO~6~)~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              315
_journal_page_last               316
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'H4 Hg3 I2 O12'
_chemical_formula_weight         1051.60
_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                 90.884(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5429(7)
_cell_length_b                   12.2051(8)
_cell_length_c                   9.3549(8)
_cell_measurement_temperature    293(2)
_cell_volume                     975.29(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.162
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101320
Crystal structure of 4,6-dinitroresorcinol, C~6~H~4~N~2~O~6~
Kolev, Tsonko; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Bleckmann, Paul; Radomirska, Valentina; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 483–484; doi:

data_8101321
_publ_section_title
;
Crystal structure of 4,6-dinitroresorcinol, C~6~H~4~N~2~O~6~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              483
_journal_page_last               484
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C6 H4 N2 O6'
_chemical_formula_weight         200.11
_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                 91.27(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.709(2)
_cell_length_b                   5.030(1)
_cell_length_c                   12.587(3)
_cell_measurement_temperature    293(2)
_cell_volume                     741.1(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.793
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101321
Crystal structure of 2,5-di-S-benzyl(1-thia-3,4-diazacyclopenta-2, 5-diene), C~16~H~14~N~2~S~3~
Tarafder, M. T. H.; Saravanan, N.; Crouse, K. A.; Yamin, Bohari M.; Raj, S. Shanmuga Sundara; Razak, I. A.; Fun, Hoong-Kun; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 485–486; doi:

data_8101322
_publ_section_title
;
Crystal structure of 2,5-di-S-benzyl(1-thia-3,4-diazacyclopenta-2,
5-diene), C~16~H~14~N~2~S~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              485
_journal_page_last               486
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C16 H14 N2 S3'
_chemical_formula_weight         330.47
_space_group_IT_number           61
_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                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.7643(1)
_cell_length_b                   10.3305(2)
_cell_length_c                   36.0581(1)
_cell_measurement_temperature    293(2)
_cell_volume                     3264.69(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.345
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101322
Crystal structure of 2-S-benzyl-5-phenyl-1-(1-thia-3,4-diazacyclopenta- 2,4-diene), C~15~H~12~N~2~S~2~
Tarafder, M. T. H.; Azahari, K.; Crouse, K. A.; Yamin, B. M.; Sundara Raj, S. Shanmuga; Ibrahim, A. R.; Fun, Hoong-Kun; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 487–488; doi:

data_8101323
_publ_section_title
;
Crystal structure of 2-S-benzyl-5-phenyl-1-(1-thia-3,4-diazacyclopenta-
2,4-diene), C~15~H~12~N~2~S~2~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              487
_journal_page_last               488
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C15 H12 N2 S2'
_chemical_formula_weight         284.39
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 100.782(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.6723(1)
_cell_length_b                   30.5425(6)
_cell_length_c                   7.9336(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1350.20(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.399
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101323
Crystal structure of 1,3,5-tris(thien-2-yl)benzene, C~18~H~12~S~3~
Choi, Moon-Gun; Chang, Hong-Young; Guzei, Ilia A.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 491–492; doi:

data_8101324
_publ_section_title
;
Crystal structure of 1,3,5-tris(thien-2-yl)benzene, C~18~H~12~S~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              491
_journal_page_last               492
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C18 H12 S3'
_chemical_formula_sum            'C18 H12 S3'
_chemical_formula_weight         324.46
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0515(16)
_cell_length_b                   11.5227(11)
_cell_length_c                   8.2362(8)
_cell_measurement_temperature    296(2)
_cell_volume                     1523.3(3)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.410
_cod_database_code               8101324