LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 6,6-bis(methyl-2,3-O-isopropylidene-6-deoxy-alpha- D-mannopyranoside), C~20~H~34~O~10~
Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 125–127; doi:

data_8100575
_publ_section_title
;
Crystal structure of 6,6-bis(methyl-2,3-O-isopropylidene-6-deoxy-alpha-
D-mannopyranoside), C~20~H~34~O~10~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              125
_journal_page_last               127
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'C20 H34 O10'
_chemical_formula_weight         434.47
_chemical_melting_point          334.0(10)
_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                 92.239(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.6895(7)
_cell_length_b                   23.0104(13)
_cell_length_c                   10.1973(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2271.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.270
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '333-335 K' was changed to
'334.0(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100575
Crystal structure of 5,17-di-t-butyl-25,26,27,28-tetrahydroxy-11,23- (2-hydroxy-5-nitro-1,3-xyleno)-calix[4]arene methylenechloride, C~44~H~45~NO~7~ · CH~2~Cl~2~
Paulus, E. F.; Boehmer, V.; O'Sullivan, P.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 144–146; doi:

data_8100576
_publ_section_title
;
Crystal structure of 5,17-di-t-butyl-25,26,27,28-tetrahydroxy-11,23-
(2-hydroxy-5-nitro-1,3-xyleno)-calix[4]arene methylenechloride, 
C~44~H~45~NO~7~ &#x00B7; CH~2~Cl~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              144
_journal_page_last               146
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'C45 H47 Cl2 N O7'
_chemical_formula_weight         784.74
_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                 91.75(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.581(2)
_cell_length_b                   26.185(5)
_cell_length_c                   14.195(3)
_cell_measurement_temperature    192(2)
_cell_volume                     3931.1(13)
_diffrn_ambient_temperature      192(2)
_exptl_crystal_density_diffrn    1.326
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100576
Crystal structure of 2-methyl-1-(1,3-pentadiynyl)-4-(1-propynyl)benzene, C~15~H~12~
Ostendorf, Detlev; Haase, Detlev; Saak, Wolfgang; Weidenbruch, Manfred; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 99–100; doi:

data_8100577
_publ_section_title
;
Crystal structure of 2-methyl-1-(1,3-pentadiynyl)-4-(1-propynyl)benzene, 
C~15~H~12~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              99
_journal_page_last               100
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C15 H12'
_chemical_formula_sum            'C15 H12'
_chemical_formula_weight         192.25
_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                 90.530(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.8624(5)
_cell_length_b                   12.1578(15)
_cell_length_c                   13.5279(9)
_cell_measurement_temperature    193(2)
_cell_volume                     1128.61(18)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.131
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100577
Crystal structure of (1-hydroxy-1-phosphono-2-pyridin-3-yl-ethyl)- phosphonic acid (risedronate), C~7~H~11~NO~7~P~2~ · H~2~O, an antiresorptive bones drug
Barbey, Carole; Lecouvey, Marc; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 137–138; doi:

data_8100578
_publ_section_title
;
Crystal structure of (1-hydroxy-1-phosphono-2-pyridin-3-yl-ethyl)-
phosphonic acid (risedronate), C~7~H~11~NO~7~P~2~ &#x00B7; H~2~O, an 
antiresorptive bones drug
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              137
_journal_page_last               138
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C7 H11 N O7 P2, H2O'
_chemical_formula_structural     'C7 H11 N O7 P2 . H2 O'
_chemical_formula_sum            'C7 H13 N O8 P2'
_chemical_formula_weight         301.12
_chemical_name_common            Risedronate
_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                 102.12(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.128(2)
_cell_length_b                   10.689(2)
_cell_length_c                   14.684(2)
_cell_measurement_temperature    113(2)
_cell_volume                     1093.8(4)
_diffrn_ambient_temperature      113(2)
_exptl_crystal_density_diffrn    1.829
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100578
Crystal structure of trans-dichlorobis(dimesityltelluride)palladium (II), C~72~H~88~Cl~4~Pd~2~Te~4~
Rajeswaran, Manju; Gysling, Henry J.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 151–153; doi:

data_8100579
_publ_section_title
;
Crystal structure of trans-dichlorobis(dimesityltelluride)palladium
(II), C~72~H~88~Cl~4~Pd~2~Te~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              151
_journal_page_last               153
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C36 H44 Cl2 Pd Te2'
_chemical_formula_structural     'C72 H88 Cl4 Pd2 Te4'
_chemical_formula_sum            'C72 H88 Cl4 Pd2 Te4'
_chemical_formula_weight         1818.42
_chemical_melting_point          460.15
_chemical_name_common            trans-[PdCl2[Te(Mesityl)2]2]
_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                83.85(3)
_cell_angle_beta                 83.53(3)
_cell_angle_gamma                86.22(3)
_cell_formula_units_Z            2
_cell_length_a                   12.070(2)
_cell_length_b                   15.905(3)
_cell_length_c                   18.777(4)
_cell_measurement_temperature    150(2)
_cell_volume                     3555.8(12)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.698
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_chemical_melting_point' value '187C' was changed to '460.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               8100579
Crystal structure of 6-ethylidene-4-vinyl-18,21-dioxa-15,24-dithia- 2,5,8-triazatricyclo[23.4.0.0]nonacosa-1(25),4,9,11,13,26,28-heptaene- 3,7-dione, C~25~H~25~N~3~O~4~S~2~, a 21-membered dioxa-dithia-diamide based macrocycle
Hundal, Geeta; Kumar, Subodh; Singh, Narinder; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 104–106; doi:

data_8100580
_publ_section_title
;
Crystal structure of 6-ethylidene-4-vinyl-18,21-dioxa-15,24-dithia-
2,5,8-triazatricyclo[23.4.0.0]nonacosa-1(25),4,9,11,13,26,28-heptaene-
3,7-dione, C~25~H~25~N~3~O~4~S~2~, a 21-membered dioxa-dithia-diamide 
based macrocycle
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              104
_journal_page_last               106
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C25 H25 N3 O4 S2'
_chemical_formula_sum            'C25 H25 N3 O4 S2'
_chemical_formula_weight         495.60
_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                 99.780(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5160(10)
_cell_length_b                   16.2690(10)
_cell_length_c                   12.8990(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2381.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.382
_refine_ls_R_factor_obs          0.0482
_refine_ls_wR_factor_obs         0.1015
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100580
Redetermination of the crystal structure of mercury chlorothiocyanate, HgClSCN
Mosset, Alain; Bagieu-Beucher, Muriel; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 1–2; doi:10.1524/ncrs.2002.217.jg.1

data_8100581
_publ_section_title
;
Redetermination of the crystal structure of mercury chlorothiocyanate, 
HgClSCN
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              1
_journal_page_last               2
_journal_paper_doi               10.1524/ncrs.2002.217.jg.1
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'Hg Cl S C N'
_chemical_formula_structural     'Hg Cl S C N'
_chemical_formula_sum            'C Cl Hg N S'
_chemical_formula_weight         294.12
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4018(5)
_cell_length_b                   4.1843(4)
_cell_length_c                   10.2021(5)
_cell_measurement_temperature    293
_cell_volume                     444.04(4)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.399
_cod_original_formula_sum        'Hg Cl S C N'
_cod_database_code               8100581
Crystal structure of lead yttrium fluoride, Pb~8~Y~6~F~34~, a new fluorite-related anion-rich fluoride
Köhler, Jorgen; Tyagi, A. K.; Achary, S. N.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 23–23; doi:

data_8100582
_publ_section_title
;
Crystal structure of lead yttrium fluoride, Pb~8~Y~6~F~34~, a new 
fluorite-related anion-rich fluoride
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              23
_journal_page_last               23
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Pb8 Y6 F34'
_chemical_formula_sum            'F34 Pb8 Y6'
_chemical_formula_weight         8700.94
_chemical_name_common            'Lead yttrium fluoride '
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.81871(1)
_cell_length_b                   10.81871(1)
_cell_length_c                   19.9564(3)
_cell_volume                     2022.85(7)
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    7.142(1)
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_max        106
_pd_meas_2theta_range_min        10
_pd_meas_scan_method             step
_pd_phase_name                   PB4Y3F17
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.1221
_refine_ls_R_I_factor            0.0777
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Pb8 Y6 F34'
_cod_database_code               8100582
Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO~4~ · 2H~2~O
Boeyens, J. C. A.; Ichharam, V. V. H.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 9–10; doi:

data_8100583
_publ_section_title
;
Redetermination of the crystal structure of calcium sulphate dihydrate, 
CaSO~4~ &#x00B7; 2H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              9
_journal_page_last               10
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'H4 Ca1 O6 S1'
_chemical_formula_structural     'Ca S O6 H'
_chemical_formula_sum            'Ca H4 O6 S'
_chemical_formula_weight         172.17
_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                 127.414(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2840(10)
_cell_length_b                   15.2000(10)
_cell_length_c                   6.5230(12)
_cell_measurement_temperature    293(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     494.87(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.311
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100583
Crystal structure of potassium indium (monophosphate-hydrogenmonoborate- monophosphate), KIn[BP~2~O~8~(OH)]
Mao, Shao-Yu; Li, Man-Rong; Huang, Ya-Xi; Mi, Jin-Xiao; Wei, Zan-Bin; Zhao, Jing-Tai; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 3–4; doi:10.1524/ncrs.2002.217.1.3

data_8100584
_publ_section_title
;
 Crystal structure of potassium indium (monophosphate-hydrogenmonoborate-
 monophosphate), KIn[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              3
_journal_page_last               4
_journal_paper_doi               10.1524/ncrs.2002.217.1.3
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'KIn[BP2 O8 (OH)]'
_chemical_formula_sum            'B2 H2 In2 K2 O18 P4'
_chemical_formula_weight         743.36
_chemical_name_common            'KInH(BP2 O9)'
_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                91.741(7)
_cell_angle_beta                 93.061(7)
_cell_angle_gamma                79.823(5)
_cell_formula_units_Z            1
_cell_length_a                   5.2638(4)
_cell_length_b                   8.4791(5)
_cell_length_c                   8.1469(9)
_cell_measurement_temperature    293(2)
_cell_volume                     357.30(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.489
_exptl_crystal_density_meas      ?
_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_original_formula_sum        'H B In K O9 P2'
_cod_database_code               8100584
Crystal structure of ammonium indium(monophosphate-hydrogenmonoborate- monophosphate), (NH~4~)In[BP~2~O~8~(OH)]
Mi, Jin-Xiao; Li, Man-Rong; Mao, Shao-Yu; Huang, Ya-Xi; Wei, Zan-Bin; Zhao, Jing-Tai; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 5–6; doi:10.1524/ncrs.2002.217.1.5

data_8100585
_publ_section_title
;
 Crystal structure of ammonium indium(monophosphate-hydrogenmonoborate-
 monophosphate), (NH~4~)In[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              5
_journal_page_last               6
_journal_paper_doi               10.1524/ncrs.2002.217.1.5
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '(NH4)In [BP2 O8 (OH)]'
_chemical_formula_sum            'B H5 In N O9 P2'
_chemical_formula_weight         350.62
_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                93.077(5)
_cell_angle_beta                 93.331(6)
_cell_angle_gamma                80.634(5)
_cell_formula_units_Z            2
_cell_length_a                   5.2980(4)
_cell_length_b                   8.4880(4)
_cell_length_c                   8.3901(5)
_cell_measurement_temperature    293(2)
_cell_volume                     371.26(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.136
_cod_original_formula_sum        'H5 B In N O9 P2'
_cod_database_code               8100585
Crystal structure of sodium indium (monohydrogenmono-phosphate- dihydrogenmonoborate-monophosphate), NaIn[BP~2~O~7~(OH)~3~]
Huang, Ya-Xi; Mi, Jin-Xiao; Mao, Shao-Yu; Wei, Zan-Bin; Zhao, Jing-Tai; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 7–8; doi:10.1524/ncrs.2002.217.1.7

data_8100586
_publ_section_title
;
Crystal structure of sodium indium (monohydrogenmono-phosphate-
dihydrogenmonoborate-monophosphate), NaIn[BP~2~O~7~(OH)~3~]
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              7
_journal_page_last               8
_journal_paper_doi               10.1524/ncrs.2002.217.1.7
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'H3 B1 In1 Na1 O10 P2'
_chemical_formula_structural     'NaIn[BP2 O7 (OH)3]'
_chemical_formula_sum            'B4 H12 In4 Na4 O40 P8'
_chemical_formula_weight         373.58
_chemical_name_common            NaInH^3(BP^2O^10)
_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                 115.951(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.368(2)
_cell_length_b                   8.5200(10)
_cell_length_c                   9.415(2)
_cell_measurement_temperature    293(2)
_cell_volume                     747.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.318
_exptl_crystal_density_meas      ?
_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 

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_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H12 B4 In4 Na4 O40 P8'
_cod_database_code               8100586
Crystal structure of discandium antimonide, Sc~2~Sb
Nuss, Jürgen; Jansen, Martin; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 19–20; doi:

data_8100587
_publ_section_title
;
Crystal structure of discandium antimonide, Sc~2~Sb
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              19
_journal_page_last               20
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'Sc2 Sb'
_chemical_formula_structural     'Sc2 Sb'
_chemical_formula_sum            'Sb Sc2'
_chemical_formula_weight         211.67
_chemical_name_common            'discandium antimonide'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.211(1)
_cell_length_b                   4.211(1)
_cell_length_c                   7.814(3)
_cell_measurement_temperature    293(2)
_cell_volume                     138.53(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.075
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               8100587