LMucko/crystallography-open-database huggingface dataset:
8-Amino-7-(2-hydroxy-3-morpholinopropyl)theophylline
Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.; Acta Crystallographica Section C 51 (1995) 2121–2123; doi:10.1107/S0108270195003374

data_2003971
_publ_section_title
;
 8-Amino-7-(2-hydroxy-3-morpholinopropyl)theophylline
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2121
_journal_page_last               2123
_journal_paper_doi               10.1107/S0108270195003374
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C14 H22 N6 O4'
_chemical_formula_weight         338.37
_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'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90
_cell_angle_beta                 108.48(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.114(5)
_cell_length_b                   9.859(2)
_cell_length_c                   13.273(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      50
_cell_measurement_theta_min      10
_cell_volume                     3241.0(13)
_diffrn_measurement_device       'Kuma KM-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0078
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7745
_diffrn_reflns_theta_max         82
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.776
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   3.43
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     243
_refine_ls_number_reflns         2795
_refine_ls_R_factor_obs          0.0667
_refine_ls_shift/esd_max         0.059
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0667
_reflns_number_observed          2795
_reflns_number_total             3182
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            as1159.cif
_cod_data_source_block           as1159a
_cod_original_cell_volume        3241.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2003971
NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides
Kettani, M. H.; Avignant, D.; Metin, J.; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 2207–2210; doi:10.1107/s0108270195006081

data_2004075
_publ_section_title
;
 NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2207
_journal_page_last               2210
_journal_paper_doi               10.1107/s0108270195006081
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'F11 Mn Na Zr2'
_chemical_formula_weight         469.35
_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                 116.22(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.131(2)
_cell_length_b                   6.7750(10)
_cell_length_c                   7.769(2)
_cell_measurement_temperature    293
_cell_volume                     431.1(2)
_exptl_crystal_density_diffrn    3.62
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Na Mn Zr2 F11'
_cod_database_code               2004075
NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides
Kettani, M. H.; Avignant, D.; Metin, J.; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 2207–2210; doi:10.1107/s0108270195006081

data_2004076
_publ_section_title
;
 NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2207
_journal_page_last               2210
_journal_paper_doi               10.1107/s0108270195006081
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'F11 Fe Na Zr2'
_chemical_formula_weight         470.26
_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                 116.220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.069(3)
_cell_length_b                   6.7360(10)
_cell_length_c                   7.7570(10)
_cell_measurement_temperature    293
_cell_volume                     425.1(2)
_exptl_crystal_density_diffrn    3.67
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Na Fe Zr2 F11'
_cod_database_code               2004076
NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides
Kettani, M. H.; Avignant, D.; Metin, J.; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 2207–2210; doi:10.1107/s0108270195006081

data_2004077
_publ_section_title
;
 NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2207
_journal_page_last               2210
_journal_paper_doi               10.1107/s0108270195006081
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Co F11 Na Zr2'
_chemical_formula_weight         473.35
_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                 116.260(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0370(10)
_cell_length_b                   6.7000(10)
_cell_length_c                   7.725(2)
_cell_measurement_temperature    293
_cell_volume                     419.50(10)
_exptl_crystal_density_diffrn    3.75
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Na Co Zr2 F11'
_cod_database_code               2004077
NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides
Kettani, M. H.; Avignant, D.; Metin, J.; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 2207–2210; doi:10.1107/s0108270195006081

data_2004078
_publ_section_title
;
 NaM^II^Zr~2~F~11~ (M^II^ = Mn, Fe, Co, Ni, Zn) Fluorides
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2207
_journal_page_last               2210
_journal_paper_doi               10.1107/s0108270195006081
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'F11 Na Ni Zr2'
_chemical_formula_weight         473.12
_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                 116.24(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.002(2)
_cell_length_b                   6.6750(10)
_cell_length_c                   7.7090(10)
_cell_measurement_temperature    293
_cell_volume                     415.5(2)
_exptl_crystal_density_diffrn    3.78
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Na Ni Zr2 F11'
_cod_database_code               2004078
Zirconium Tungstate
Auray, Martine; Quarton, Michel; Leblanc, Marc; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 2210–2213; doi:10.1107/s0108270195001545

data_2004120
_publ_section_title
;
Zirconium Tungstate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2210
_journal_page_last               2213
_journal_paper_doi               10.1107/s0108270195001545
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'O8 W2 Zr'
_chemical_formula_weight         586.92
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1546(2)
_cell_length_b                   9.1546(2)
_cell_length_c                   9.1546(2)
_cell_measurement_temperature    293
_cell_volume                     767.22(5)
_exptl_crystal_density_diffrn    5.081
_exptl_crystal_density_meas      4.90(5)
_cod_database_code               2004120
_cod_duplicate_entry 1000396
4-Benzylbiphenyl
Rajnikant; Watkin, D. J.; Tranter, G.; Acta Crystallographica Section C 51 (1995) 2388–2390; doi:10.1107/S0108270195006329

data_2004133
_publ_section_title
;
 4-Benzylbiphenyl
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2388
_journal_page_last               2390
_journal_paper_doi               10.1107/S0108270195006329
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C19 H16'
_chemical_formula_weight         244.3
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 99.919(20)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.711(4)
_cell_length_b                   6.115(3)
_cell_length_c                   21.514(4)
_cell_measurement_reflns_used    250
_cell_measurement_temperature    120
_cell_measurement_theta_max      24
_cell_measurement_theta_min      3
_cell_volume                     1388.1(9)
_diffrn_measurement_device       'Enraf-Nonius FAST'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.123
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5539
_diffrn_reflns_theta_max         25
_diffrn_standards_number
;No standards measured; absence of decay confirmed by comparing analogous
reflections from beginning and end of data collection (7 h in total)
;
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.17
_exptl_crystal_description       'Rectangular plate'
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.573
_refine_diff_density_min         -1.162
_refine_ls_extinction_coef       38.6
_refine_ls_extinction_method     'Secondary, Larson (1970)'
_refine_ls_goodness_of_fit_obs   0.994
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     232
_refine_ls_number_reflns         1102
_refine_ls_R_factor_obs          0.0429
_refine_ls_shift/esd_max         0.162
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;w = [weight][1 - (\DF/\s + \sF)^2^]^2^, weighting coefficients 11.5,
-0.68, 8.27
;
_refine_ls_wR_factor_obs         0.0510
_reflns_number_observed          1102
_reflns_number_total             2055
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hu1135.cif
_cod_data_source_block           hu1135a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004133
Bis(cytosinium) Tetrachlorodimethylstannate(IV)
Casellato, U.; Graziani, R.; Martelli, M.; Plazzogna, G.; Acta Crystallographica Section C 51 (1995) 2293–2295; doi:10.1107/S0108270195005312

data_2004166
_publ_section_title
;
 Bis(cytosinium) Tetrachlorodimethylstannate(IV)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2293
_journal_page_last               2295
_journal_paper_doi               10.1107/S0108270195005312
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C10 H18 Cl4 N6 O2 Sn'
_chemical_formula_weight         514.8
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 94.12(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.9670(10)
_cell_length_b                   10.346(2)
_cell_length_c                   12.877(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      12
_cell_measurement_theta_min      6
_cell_volume                     925.8(3)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.069
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2095
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.982
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.82
_exptl_absorpt_correction_type
'empirical via \y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.84
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.0
_refine_diff_density_min         0.6
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.024
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     121
_refine_ls_number_reflns         1913
_refine_ls_R_factor_obs          0.028
_refine_ls_shift/esd_max         0.1
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.028
_reflns_number_observed          1913
_reflns_number_total             1981
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            na1172.cif
_cod_data_source_block           na1172a
_cod_original_cell_volume        926.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2004166
Screw-Chain Structure of 1,10-Phenanthroline Hydrate, C~12~H~8~N~2~.H~2~O
Tian, Y.-P.; Duan, C.-Y.; Xu, X.-X.; You, X.-Z.; Acta Crystallographica Section C 51 (1995) 2309–2312; doi:10.1107/S010827019500549X

data_2004188
_publ_section_title
;
 Screw-Chain Structure of 1,10-Phenanthroline Hydrate,
 C~12~H~8~N~2~.H~2~O
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2309
_journal_page_last               2312
_journal_paper_doi               10.1107/S010827019500549X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C12 H10 N2 O'
_chemical_formula_weight         198.2
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_atom_type_scat_source           'IntTabIV Table 2.2B'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   17.833(3)
_cell_length_b                   17.833(3)
_cell_length_c                   8.5430(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      15
_cell_measurement_theta_min      13
_cell_volume                     2352.8(6)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.008
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3081
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        2.7
_diffrn_standards_interval_count 100
_diffrn_standards_number         10
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.923
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.22
_refine_ls_goodness_of_fit_obs   1.77
_refine_ls_hydrogen_treatment    'H atoms refined as riding model, fixed U~iso~'
_refine_ls_number_parameters     405
_refine_ls_number_reflns         1315
_refine_ls_R_factor_obs          0.07
_refine_ls_shift/esd_max         0.048
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0002F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.061
_reflns_number_observed          1315
_reflns_number_total             3067
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            ta1000.cif
_cod_data_source_block           ta1000a

_cod_original_cell_volume        2352.9(7)
_cod_database_code               2004188
Monoclinic Mg~2~B~2~O~5~
Guo, Guo-Cong; Cheng, Wen-Dan; Chen, Jiu-Tong; Zhuang, Hong-Hui; Huang, Jin-Shun; Zhang, Qian-Er; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 2469–2471; doi:10.1107/s0108270195008298

data_2004240
_publ_section_title
;
 Monoclinic Mg~2~B~2~O~5~
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2469
_journal_page_last               2471
_journal_paper_doi               10.1107/s0108270195008298
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_moiety         'Mg2 B2 O5'
_chemical_formula_sum            'B2 Mg2 O5'
_chemical_formula_weight         150.24
_chemical_name_mineral           Suanite
_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
_cell_angle_beta                 104.26(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.197(4)
_cell_length_b                   3.1228(9)
_cell_length_c                   12.303(4)
_cell_measurement_temperature    293
_cell_volume                     342.5(4)
_database_code_amcsd             0010304
_exptl_crystal_density_diffrn    2.91
_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/c'
_cod_original_formula_sum        'Mg2 B2 O5'
_cod_database_code               2004240
Low-Density Form of NaGaSi~2~O~6~
Ohashi, Haruo; Osawa, Toshikazu; Sato, Akira; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 2476–2477; doi:10.1107/s010827019500775x

data_2004306
_publ_section_title
;
 Low-Density Form of NaGaSi~2~O~6~
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              2476
_journal_page_last               2477
_journal_paper_doi               10.1107/s010827019500775x
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Ga Na O6 Si2'
_chemical_formula_weight         244.88
_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
_cell_angle_beta                 107.637(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5573(5)
_cell_length_b                   8.7019(2)
_cell_length_c                   5.2705(3)
_cell_measurement_temperature    296
_cell_volume                     417.73(4)
_database_code_amcsd             0010305
_exptl_crystal_density_diffrn    3.89
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Na Ga Si2 O6'
_cod_database_code               2004306
_amcsd_formula_title             NaGaSi2O6