LMucko/crystallography-open-database huggingface dataset:
2,3,4,5-Tetrahydrocyclohepta[b]pyrido[2,1-a]benzimidazole-7-carbonitrile
Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Dix, Ina; Jones, Peter G.; Acta Crystallographica Section C 54 (1998) 1107–1109; doi:

data_2007503
_publ_section_title
;
2,3,4,5-Tetrahydrocyclohepta[b]pyrido[2,1-a]benzimidazole-7-carbonitrile
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1107
_journal_page_last               1109
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'C17 H15 N3'
_chemical_formula_sum            'C17 H15 N3'
_chemical_formula_weight         261.32
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.67(3)
_cell_angle_beta                 102.76(3)
_cell_angle_gamma                107.14(2)
_cell_formula_units_Z            2
_cell_length_a                   8.105(4)
_cell_length_b                   9.292(4)
_cell_length_c                   10.283(4)
_cell_measurement_temperature    143(2)
_cell_volume                     651.3(5)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.333
_refine_ls_R_factor_obs          .055
_refine_ls_wR_factor_obs         .096
_cod_depositor_comments
;
The following automatic conversions were performed:
'_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 (5 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2007503
Neutron Powder Diffraction Study on Highly Deuterated Ca(IO~3~)~2~.D~2~O
Peter, Stefan; Suchanek, Ellen; Roisnel, Thierry; Lutz, Heinz Dieter; Acta Crystallographica Section C 54 (1998) 1064–1066; doi:10.1107/S010827019800167X

data_2007504
_publ_section_title
;
 Neutron Powder Diffraction Study on Highly Deuterated
 Ca(IO~3~)~2~.D~2~O
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1064
_journal_page_last               1066
_journal_paper_doi               10.1107/S010827019800167X
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'Ca (I O3)2 , D2 O'
_chemical_formula_structural     'Ca (I O3)2 (D2 O)'
_chemical_formula_sum            'Ca D2 I O7'
_chemical_formula_weight         409.91
_chemical_name_common            'calcium iodate monohydrate'
_chemical_name_systematic        'calcium iodate monohydrate'
_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                 95.372(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5161(4)
_cell_length_b                   10.0390(4)
_cell_length_c                   7.5138(3)
_cell_measurement_reflns_used    2020
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.46
_cell_measurement_theta_min      4.15
_cell_volume                     639.56(5)
_computing_cell_refinement       'FULLPROF (Rodriguez-Carvajal, 1990)'
_computing_data_collection       '3T2 diffractometer local software'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_structure_refinement  FULLPROF
_diffrn_measurement_device       3T2
_diffrn_measurement_method       Debye-Scherrer
_diffrn_radiation_monochromator  'Ge (335)'
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         'Orphee reactor, LLB, Saclay (France)'
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.2272
_exptl_absorpt_coefficient_mu    0.03313
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    4.257
_exptl_crystal_density_method    none
_refine_ls_goodness_of_fit_all   1.30
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     70
_refine_ls_R_factor_all          0.039
_cod_data_source_file            br1201.cif
_cod_data_source_block           caio321w
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Ca D2 O7 I'
_cod_database_code               2007504
A Cementitious Compound with Composition 3CaO.Al~2~O~3~.CaCO~3~.11H~2~O
Michel Francois; Guillaume Renaudin; Omer Evrard; Acta Crystallographica Section C 54 (1998) 1214–1217; doi:

data_2007668
_publ_section_title
;
A Cementitious Compound with Composition
3CaO.Al~2~O~3~.CaCO~3~.11H~2~O
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1214
_journal_page_last               1217
_journal_volume                  54
_journal_year                    1998
_chemical_formula_analytical     '3CaO Al2O3 CaCO3 11 H2O'
_chemical_formula_iupac          'Ca4 Al2 (OH)12 CO3, 5H2O'
_chemical_formula_structural     '(4Ca 2Al 12OH)2+;(CO3, 5H2O)'
_chemical_formula_sum            'C H22 Al2 Ca4 O20'
_chemical_formula_weight         568.47
_chemical_name_common            'Mono carbo aluminate'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                64.77(2)
_cell_angle_beta                 82.75(2)
_cell_angle_gamma                81.43(2)
_cell_formula_units_Z            1
_cell_length_a                   5.7747(14)
_cell_length_b                   8.4689(11)
_cell_length_c                   9.923(3)
_cell_measurement_temperature    293(2)
_cell_volume                     433.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.180
_exptl_crystal_density_meas      ?
_refine_ls_R_factor_obs          .0268
_refine_ls_wR_factor_obs         .0805
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               2007668
_cod_duplicate_entry 1000459
1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1, 3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol
S. Yonezawa; M. Leblanc; A. Guesdon; C. Alexandre; Acta Crystallographica Section C 54 (1998) 1986–1987; doi:

data_2007992
_publ_section_title
;
1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1,
3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1986
_journal_page_last               1987
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C19 H32 O5 S'
_chemical_formula_weight         372.51
_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                   7.150(2)
_cell_length_b                   10.284(2)
_cell_length_c                   27.726(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2038.8(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.214
_refine_ls_R_factor_obs          0.0392
_refine_ls_wR_factor_obs         0.1080
_cod_database_code               2007992
Calcium pyroborate, Ca~2~B~2~O~5~
Lin, Qi-Sheng; Cheng, Wen-Dan; Chen, Jiu-Tong; Huang, Jin-Shun; Acta Crystallographica Section C 55 (1999) 04–06; doi:

data_2008055
_publ_section_title
;
Calcium pyroborate, Ca~2~B~2~O~5~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              04
_journal_page_last               06
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'Ca2 B2 O5'
_chemical_formula_sum            'B2 Ca2 O5'
_chemical_formula_weight         181.78
_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(2)
_cell_angle_beta                 93.11(2)
_cell_angle_gamma                90.00(3)
_cell_formula_units_Z            4
_cell_length_a                   7.212(2)
_cell_length_b                   5.1770(10)
_cell_length_c                   11.498(3)
_cell_measurement_temperature    293
_cell_volume                     428.6(4)
_exptl_crystal_density_diffrn    2.82
_refine_ls_R_factor_obs          .0561
_refine_ls_wR_factor_obs         .0710
_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.

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (19 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Ca2 B2 O5'
_cod_database_code               2008055
The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)
Carter, Robert L.; Zompa, Leverett J.; Acta Crystallographica Section C 55 (1999) 06–08; doi:

data_2008056
_publ_section_title
;
The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              06
_journal_page_last               08
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'K3 [Zn Cl4] NO3'
_chemical_formula_moiety         'K3 (ZnCl4) (NO3)'
_chemical_formula_sum            'Cl4 K3 N O3 Zn'
_chemical_formula_weight         386.48
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_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                   9.256(3)
_cell_length_b                   9.726(3)
_cell_length_c                   12.073(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1086.9(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.362
_exptl_crystal_density_meas      2.30(10)
_cod_database_code               2008056
The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)
Carter, Robert L.; Zompa, Leverett J.; Acta Crystallographica Section C 55 (1999) 06–08; doi:

data_2008057
_publ_section_title
;
The Double-Anion Salts M~3~[ZnCl~4~]NO~3~ (M = K^+^ and NH~4~^+^)
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              06
_journal_page_last               08
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '(N H4)3 [Zn Cl4] N O3'
_chemical_formula_moiety         '(NH4)3 ZnCl4 NO3'
_chemical_formula_sum            'Cl4 H12 N4 O3 Zn'
_chemical_formula_weight         323.31
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_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                   9.268(3)
_cell_length_b                   10.042(3)
_cell_length_c                   12.482(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1161.7(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_meas      1.80(10)
_cod_original_formula_sum        'H12 Cl4 N4 O3 Zn'
_cod_database_code               2008057
Ba~4~Ti~12~O~27~: Rietveld refinement using x-ray powder diffraction data
Currao, Antonio; Acta Crystallographica Section C 55 (1999) 02–04; doi:

data_2008058
_publ_section_title
;
Ba~4~Ti~12~O~27~: Rietveld refinement using x-ray powder diffraction data
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              02
_journal_page_last               04
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'Ba4 Ti12 O27'
_chemical_formula_structural     'Ba4 Ti12 O27'
_chemical_formula_sum            'Ba4 O27 Ti12'
_chemical_formula_weight         1555.85
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.1847(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.8165(2)
_cell_length_b                   11.44680(10)
_cell_length_c                   9.92080(10)
_cell_measurement_temperature    293
_cell_volume                     2125.41(4)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.862
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Ba4 Ti12 O27'
_cod_database_code               2008058
A powder diffraction study of BaCaGa~4~O~8~
Shun-ich Kubota; Hisanori Yamane; Masahiko Shimada; Acta Crystallographica Section C 55 (1999) 14–17; doi:10.1107/S0108270198010178

data_2008101
_publ_section_title
;
 A powder diffraction study of BaCaGa~4~O~8~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              14
_journal_page_last               17
_journal_paper_doi               10.1107/S0108270198010178
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'Ba1 Ca1 Ga4 O8'
_chemical_formula_sum            'Ba Ca Ga4 O8'
_chemical_formula_weight         584.29
_chemical_name_systematic        ' ?'
_space_group_IT_number           44
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_atom_type_scat_source
'International Tables for X-ray Crystallography (Vol. IV)'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   8.25350(10)
_cell_length_b                   9.20840(10)
_cell_length_c                   5.16100(10)
_cell_measurement_reflns_used    494
_cell_measurement_temperature    293
_cell_measurement_theta_max      70
_cell_measurement_theta_min      7.5
_cell_volume                     392.244(10)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       RIGAKU_RINT2500V_diffractometer
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_rotor
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.540562
_exptl_absorpt_coefficient_mu    60.76
_exptl_crystal_density_diffrn    4.94710(10)
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     36
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            os1030.cif
_cod_data_source_block           1
_cod_original_cell_volume        392.250(10)
_cod_original_formula_sum        'Ba1 Ca1 Ga4 O8'
_cod_database_code               2008101
Ba~3~Mn~2~O~8~ determined from neutron powder diffraction
Weller, Mark T.; Skinner, Stephen J.; Acta Crystallographica Section C 55 (1999) 154–156; doi:10.1107/S0108270198011871

data_2008132
_publ_contact_author
; Professor Mark T Weller
  Department of Chemistry
  University of Southampton
  Highfield
  Southampton
  SO17 1BJ
;
_publ_section_title
;
 Ba~3~Mn~2~O~8~ determined from neutron powder diffraction
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              154
_journal_page_last               156
_journal_paper_doi               10.1107/S0108270198011871
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'Ba3 Mn2 O8'
_chemical_formula_sum            'Ba3 Mn2 O8'
_chemical_formula_weight         649.891
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   5.710728(16)
_cell_length_b                   5.710728(16)
_cell_length_c                   21.44383(10)
_cell_measurement_reflns_used    'whole diffractogram'
_cell_measurement_temperature    295
_cell_volume                     605.642(4)
_computing_structure_refinement  'GSAS (Larson & von Dreele, 1994)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device
;
High Resolution Powder Diffractometer (HRPD) at ISIS
;
_diffrn_measurement_method
'Measurement method: neutron scattering, time-of-flight'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_reflns_number            347
_exptl_crystal_colour            'dark green'
_exptl_crystal_description       powder
_refine_ls_goodness_of_fit_obs   1.70
_refine_ls_number_parameters     26
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/su_max          0.001
_refine_ls_wR_factor_obs         0.070
_cod_data_source_file            br1210.cif
_cod_data_source_block           Ba3Mn2O8_publ
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        605.64
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               2008132
Paroxetine hydrochloride hemihydrate
Ibers, James A.; Acta Crystallographica Section C 55 (1999) 432–434; doi:10.1107/S0108270198013444

data_2008255
_publ_section_title
;
 Paroxetine hydrochloride hemihydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              432
_journal_page_last               434
_journal_paper_doi               10.1107/S0108270198013444
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'C19 H21 F N O3 1+, Cl 1-, 0.5H2 O'
_chemical_formula_moiety         '(C19 H20 F N O3) (H Cl) 0.5(H2 O)'
_chemical_formula_sum            'C19 H22 Cl F N O3.5'
_chemical_formula_weight         374.83
_chemical_name_common            'paroxetine hydrochloride hemihydrate'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 106.638(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8953(17)
_cell_length_b                   10.0927(11)
_cell_length_c                   14.413(2)
_cell_measurement_temperature    153(2)
_cell_volume                     1797.2(4)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.385
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C19 H22 Cl F N O3.50'
_cod_database_code               2008255
(η^6^-Arylhimachalene)tricarbonylchromium(0)
Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós; Acta Crystallographica Section C 55 (1999) 361–363; doi:

data_2008277
_publ_section_title
;
(\h^6^-Arylhimachalene)tricarbonylchromium(0)
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              361
_journal_page_last               363
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Cr (C15 H22) (CO)3]'
_chemical_formula_sum            'C18 H22 Cr O3'
_chemical_formula_weight         338.36
_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                   9.3138(8)
_cell_length_b                   10.1641(8)
_cell_length_c                   18.0633(15)
_cell_measurement_temperature    293(2)
_cell_volume                     1710.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.314
_cod_database_code               2008277
Gd~3~GaO~6~ by X-ray powder diffraction
Yamane, Hisanori; Sakamoto, Takashi; Kubota, Shun-ichi; Shimada, Masahiko; Acta Crystallographica Section C 55 (1999) 479–481; doi:10.1107/S0108270198016096

data_2008330
_publ_section_title
;
Gd~3~GaO~6~ by X-ray powder diffraction
;
_journal_coeditor_code           BR1230
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              479
_journal_page_last               481
_journal_paper_doi               10.1107/S0108270198016096
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          'Gd3 Ga O6'
_chemical_formula_structural     Gd~3~(GaO~4~)O~2~
_chemical_formula_sum            'Ga Gd3 O6'
_chemical_formula_weight         637.47
_chemical_name_common            'gadolinium gallium oxide'
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.99280(10)
_cell_length_b                   11.2809(2)
_cell_length_c                   5.48116(9)
_cell_measurement_temperature    293(2)
_cell_volume                     556.05(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    7.615
_cod_original_formula_sum        'Gd3 Ga O6'
_cod_database_code               2008330