LMucko/crystallography-open-database huggingface dataset:
; Chemistry of Materials  (2005) –; doi:10.1021/cm050412c

data_4000522
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050412c
_journal_year                    2005
_chemical_formula_sum            'Cu2 S4 Sn Tl2'
_chemical_formula_weight         782.75
_chemical_name_common            'Thallium Copper Tin Sulfide'
_space_group_IT_number           72
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.3794(11)
_cell_length_b                   11.268(2)
_cell_length_c                   13.413(3)
_cell_measurement_temperature    175(5)
_cell_volume                     813.0(3)
_diffrn_ambient_temperature      175(5)
_exptl_crystal_density_diffrn    6.395
_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               4000522
; Chemistry of Materials  (2005) –; doi:10.1021/cm050412c

data_4000523
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050412c
_journal_year                    2005
_chemical_formula_sum            'Cu2 Sn Te4 Tl2'
_chemical_formula_weight         1164.91
_chemical_name_common            'Thallium Copper Tin Telluride'
_space_group_IT_number           121
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.382(3)
_cell_length_b                   8.382(3)
_cell_length_c                   7.118(3)
_cell_measurement_temperature    175(5)
_cell_volume                     500.1(3)
_diffrn_ambient_temperature      175(5)
_exptl_crystal_density_diffrn    7.737
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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               4000523
; Chemistry of Materials  (2005) –; doi:10.1021/cm050412c

data_4000524
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050412c
_journal_year                    2005
_chemical_formula_sum            'Sn1.62 Te6 Tl3 Zr1.38'
_chemical_formula_weight         1696.93
_chemical_name_common            'Thallium Zirconium Tin Telluride'
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   4.344(6)
_cell_length_b                   4.344(6)
_cell_length_c                   23.43(6)
_cell_measurement_temperature    173(2)
_cell_volume                     382.9(12)
_diffrn_ambient_temperature      175(5)
_exptl_crystal_density_diffrn    7.360
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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      'R -3 m'
_cod_database_code               4000524
; Chemistry of Materials  (2005) –; doi:10.1021/cm050412c

data_4000525
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050412c
_journal_year                    2005
_chemical_formula_sum            'Cu Nb2 Se12 Tl3'
_chemical_formula_weight         1809.99
_chemical_name_common            'Thallium Niobium Copper Selenide'
_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                 96.675(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.575(2)
_cell_length_b                   13.172(3)
_cell_length_c                   14.998(4)
_cell_measurement_temperature    175(5)
_cell_volume                     1878.8(8)
_exptl_crystal_density_diffrn    6.399
_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               4000525
; Chemistry of Materials  (2005) –; doi:10.1021/cm050412c

data_4000526
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050412c
_journal_year                    2005
_chemical_formula_sum            'P10 S36 Ti4 Tl6'
_chemical_formula_weight         2881.98
_chemical_name_common            'Thallium Titanium Phosphorus Sulfide'
_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                 105.662(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   22.5661(16)
_cell_length_b                   6.0324(7)
_cell_length_c                   20.2950(17)
_cell_measurement_temperature    175(5)
_cell_volume                     2660.1(4)
_exptl_crystal_density_diffrn    3.598
_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      'C 2/c'
_cod_database_code               4000526
; Chemistry of Materials  (2005) –; doi:10.1021/cm050412c

data_4000527
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050412c
_journal_year                    2005
_chemical_formula_sum            'Ag Se27 Ti6 Tl5'
_chemical_name_common            'Thallium Silver Titanium Selenide'
_space_group_IT_number           159
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   12.951(4)
_cell_length_b                   12.951(4)
_cell_length_c                   13.821(6)
_cell_measurement_temperature    175(5)
_cell_volume                     2007.6(12)
_diffrn_ambient_temperature      175(5)
_exptl_crystal_density_diffrn    5.871
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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               4000527
; Chemistry of Materials  (2005) –; doi:10.1021/cm050412c

data_4000528
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050412c
_journal_year                    2005
_chemical_formula_sum            'Cu8 Sb11.5 Se27 Tl11.5'
_chemical_formula_weight         6390.62
_chemical_name_common            'Thallium Antimony Copper Selenide'
_space_group_IT_number           10
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.422(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   14.268(5)
_cell_length_b                   4.1374(14)
_cell_length_c                   24.942(8)
_cell_measurement_temperature    175(5)
_cell_volume                     1468.0(9)
_diffrn_ambient_temperature      175(5)
_exptl_crystal_density_diffrn    7.229
_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 2/m'
_cod_original_formula_sum        'Cu8 Sb11.50 Se27 Tl11.50'
_cod_database_code               4000528
; Chemistry of Materials  (2005) –; doi:10.1021/cm050526o

data_4000529
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm050526o
_journal_year                    2005
_chemical_formula_sum            'C48 H50 N7 O35 Pr3'
_chemical_formula_weight         1707.69
_space_group_IT_number           206
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.028(6)
_cell_length_b                   27.028(6)
_cell_length_c                   27.028(6)
_cell_measurement_temperature    293(2)
_cell_volume                     19744(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.149
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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               4000529
Sn~2-2x~Sb~x~Fe~x~O~4~ Solid Solutions as Possible Inert Anode Materials in Aluminum Electrolysis
Govorov, V. A.; Abakumov, A. M.; Rozova, M. G.; Borzenko, A. G.; Vassiliev, S. Yu.; Mazin, V. M.; Afanasov, M. I.; Fabritchnyi, P. B.; Tsirlina, G. A.; Antipov, E. V.; Morozova, E. N.; Gippius, A. A.; Ivanov, V. V.; Tendeloo, G. Van; Chemistry of Materials 17 (2005) 3004–3011; doi:10.1021/cm048145i

data_4000530
_publ_section_title
;
 Sn~2-2x~Sb~x~Fe~x~O~4~ Solid Solutions as Possible Inert Anode Materials in
 Aluminum Electrolysis
;
_journal_coden_ASTM              CMATEX
_journal_issue                   11
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3004
_journal_page_last               3011
_journal_paper_doi               10.1021/cm048145i
_journal_volume                  17
_journal_year                    2005
_chemical_formula_sum            'Fe0.66 O4 Sb0.66 Sn0.68'
_chemical_formula_weight         261.9
_space_group_IT_number           136
_space_group_name_Hall           '-P 4n 2n'
_space_group_name_H-M_alt        'P 42/m n m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.66455
_cell_length_b                   4.66455
_cell_length_c                   3.10913
_cell_volume                     67.649
_cod_original_sg_symbol_Hall     '-P 4n;-2n'
_cod_database_code               4000530
; Chemistry of Materials  (2005) –; doi:10.1021/cm049411v

data_4000532
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm049411v
_journal_year                    2005
_chemical_formula_sum            'C8 H18 Ga2 Mn N3 O20 P3'
_chemical_formula_weight         763.54
_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                86.4290(10)
_cell_angle_beta                 69.6060(10)
_cell_angle_gamma                62.3380(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5286(8)
_cell_length_b                   10.1451(8)
_cell_length_c                   12.5796(10)
_cell_measurement_temperature    295(2)
_cell_volume                     1002.27(14)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    2.530
_exptl_crystal_density_meas      ?
_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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4000532
; Chemistry of Materials  (2005) –; doi:10.1021/cm049411v

data_4000533
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm049411v
_journal_year                    2005
_chemical_formula_sum            'C7 H24 F2 Ga4 Mn N2 O25 P4'
_chemical_formula_weight         1031.98
_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                111.437(2)
_cell_angle_beta                 103.734(2)
_cell_angle_gamma                102.096(2)
_cell_formula_units_Z            1
_cell_length_a                   8.1452(8)
_cell_length_b                   8.9029(9)
_cell_length_c                   10.4452(10)
_cell_measurement_temperature    293(2)
_cell_volume                     647.06(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.648
_exptl_crystal_density_meas      ?
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4000533
; Chemistry of Materials  (2005) –; doi:10.1021/cm049411v

data_4000534
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm049411v
_journal_year                    2005
_chemical_formula_sum            'C5.5 H25.5 F2 Ga4 Mn N1.5 O27 P4'
_chemical_formula_weight         1040.47
_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                 97.9270(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.9522(12)
_cell_length_b                   15.9644(10)
_cell_length_c                   9.0028(6)
_cell_measurement_temperature    294(2)
_cell_volume                     2697.9(3)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    2.562
_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 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C5.50 H25.50 F2 Ga4 Mn N1.50 O27 P4'
_cod_database_code               4000534
; Chemistry of Materials  (2005) –; doi:10.1021/cm049411v

data_4000535
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm049411v
_journal_year                    2005
_chemical_formula_sum            'C12 H32 Ga2 N4 O24 P4 V2'
_chemical_formula_weight         981.62
_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                82.4150(10)
_cell_angle_beta                 81.0800(10)
_cell_angle_gamma                78.5720(10)
_cell_formula_units_Z            1
_cell_length_a                   8.2932(4)
_cell_length_b                   9.0002(5)
_cell_length_c                   10.1814(5)
_cell_measurement_temperature    293(2)
_cell_volume                     731.83(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.227
_exptl_crystal_density_meas      ?
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0676P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4000535
; Chemistry of Materials  (2005) –; doi:10.1021/cm049411v

data_4000536
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm049411v
_journal_year                    2005
_chemical_formula_sum            'C8 H24 Ga2 N4 O22 P4 V2'
_chemical_formula_weight         893.51
_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            4
_cell_length_a                   15.8224(7)
_cell_length_b                   9.0385(4)
_cell_length_c                   17.4504(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2495.59(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.378
_exptl_crystal_density_meas      ?
_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_original_sg_symbol_H-M      Pbca
_cod_database_code               4000536
; Chemistry of Materials  (2005) –; doi:10.1021/cm0401802

data_4000538
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0401802
_journal_year                    2005
_chemical_formula_sum            'C32 H72 Fe2 O8 Zn'
_chemical_formula_weight         761.97
_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                 93.44(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.163(2)
_cell_length_b                   16.856(3)
_cell_length_c                   26.189(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4478.3(15)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.130
_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               4000538
; Chemistry of Materials  (2005) –; doi:10.1021/cm048471y

data_4000539
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm048471y
_journal_year                    2005
_chemical_formula_sum            'C10 H8 Ag2 N2 O6 S2'
_chemical_formula_weight         532.04
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.31(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.089(3)
_cell_length_b                   5.4096(11)
_cell_length_c                   8.0336(16)
_cell_measurement_temperature    173(2)
_cell_volume                     654.7(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.699
_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      'C 2'
_cod_database_code               4000539
; Chemistry of Materials  (2005) –; doi:10.1021/cm0483846

data_4000540
_publ_section_comment
;
Prepared at 6 GPa and 1500C for 1hr from NaRhO2, Rh2O3, and KClO4.
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm0483846
_journal_year                    2005
_chemical_formula_structural     NaRh2O4
_chemical_formula_sum            'Na O4 Rh2'
_chemical_formula_weight         292.798
_chemical_name_structure_type    CaFe2O4-type
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   9.0026(4)
_cell_length_b                   3.0461(2)
_cell_length_c                   10.7268(5)
_cell_volume                     294.16(3)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_reflns_theta_full        80
_exptl_crystal_pressure_history  'Prepared at 6 GPa'
_exptl_crystal_thermal_history   'Prepared at 6 GPa and 1500C for 1hr'
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-06-07
;
_cod_database_code               4000540