LMucko/crystallography-open-database huggingface dataset:
De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe~2~ O~4~: Les Oxydes Ca~1-x~ Li~x~ (Fe~2-x~ Sn~ ~x) O~4~ (0 < x <=0.60)
Archaimbault, F; Choisnet, J; Hervieu, M; Raveau, B; Annales de Chimie (Paris) (Vol=Year) 12 (1987) 23–32; doi:

data_1001437
_publ_section_title
;
De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe~2~ O~4~:
Les Oxydes Ca~1-x~ Li~x~ (Fe~2-x~ Sn~ ~x) O~4~ (0 < x <=0.60)
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              23
_journal_page_last               32
_journal_volume                  12
_journal_year                    1987
_chemical_formula_structural     '(Ca.5 Li.5) (Fe1.5 Sn.5) O4'
_chemical_formula_sum            'Ca0.5 Fe1.5 Li0.5 O4 Sn0.5'
_chemical_name_systematic
;
Hemicalcium hemilithium hemiiron(III) hemitin(IV) oxide
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.285(3)
_cell_length_b                   10.869(5)
_cell_length_c                   3.020(1)
_cell_volume                     304.8
_refine_ls_R_factor_all          0.074
_cod_original_formula_sum        'Ca.5 Fe1.5 Li.5 O4 Sn.5'
_cod_database_code               1001437
Synthesis and structure of LaMo~7.7~O~14~, a novel compound containing an Mo~8~ cluster
Leligny, H; Ledesert, M; Labbe, P; Raveau, B; McCarroll, W H; Journal of Solid State Chemistry 87 (1990) 35–43; doi:10.1016/0022-4596(90)90062-3

data_1001438
_publ_section_title
;
Synthesis and structure of LaMo~7.7~O~14~, a novel compound containing
an Mo~8~ cluster
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              35
_journal_page_last               43
_journal_paper_doi               10.1016/0022-4596(90)90062-3
_journal_volume                  87
_journal_year                    1990
_chemical_formula_structural     'La Mo7.7 O14'
_chemical_formula_sum            'La Mo7.7 O14'
_chemical_name_systematic        'Lanthanum molybdenum oxide (1/7.7/14)'
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      41
_symmetry_space_group_name_Hall  'C -2ac -2ac'
_symmetry_space_group_name_H-M   'C c 2 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.1708(6)
_cell_length_b                   9.9848(9)
_cell_length_c                   9.1960(7)
_cell_volume                     1025.7
_refine_ls_R_factor_all          0.03
_cod_database_code               1001438
Na~x~MoP~2~O~7~, a mixed valence molybdenum diphosphate with a tunnel structure
Leclaire, A; Borel, M M; Grandin, A; Raveau, B; Zeitschrift fuer Kristallographie (149,1979-) 184 (1988) 247–255; doi:

data_1001439
_publ_section_title
;
Na~x~MoP~2~O~7~, a mixed valence molybdenum diphosphate with a tunnel
structure
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              247
_journal_page_last               255
_journal_volume                  184
_journal_year                    1988
_chemical_formula_structural     'Na.3 Mo (P2 O7)'
_chemical_formula_sum            'Mo Na0.3 O7 P2'
_chemical_name_systematic        'Sodium molybdenum diphosphate (.3/1/1)'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.400(5)
_cell_angle_beta                 92.466(8)
_cell_angle_gamma                106.551(9)
_cell_formula_units_Z            2
_cell_length_a                   4.8813(6)
_cell_length_b                   7.0110(5)
_cell_length_c                   8.2563(4)
_cell_volume                     270.4
_refine_ls_R_factor_all          0.03
_cod_original_formula_sum        'Mo Na.3 O7 P2'
_cod_database_code               1001439
A new phosphate of trivalent titanium Mg~3~Ti~4~P~6~O~24~
Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B; Journal of Solid State Chemistry 84 (1990) 299–307; doi:10.1016/0022-4596(90)90328-U

data_1001440
_publ_section_title
;
A new phosphate of trivalent titanium Mg~3~Ti~4~P~6~O~24~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               307
_journal_paper_doi               10.1016/0022-4596(90)90328-U
_journal_volume                  84
_journal_year                    1990
_chemical_formula_structural     'Mg3 Ti4 (P O4)6'
_chemical_formula_sum            'Mg3 O24 P6 Ti4'
_chemical_name_systematic
;
Trimagnesium tetratitanium(III) hexakis(phosphate)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                67.614(9)
_cell_angle_beta                 69.348(12)
_cell_angle_gamma                79.327(8)
_cell_formula_units_Z            1
_cell_length_a                   6.3911(8)
_cell_length_b                   7.9616(5)
_cell_length_c                   9.4299(14)
_cell_volume                     414.4
_refine_ls_R_factor_all          0.021
_cod_database_code               1001440
A novel niobium phosphate bronze with a tunnel structure, K~3~Nb~6~P~4~O~26~, member n=infinity of the series (K~3~Nb~6~P~4~O~26~)n . KNb~2~PO~8~
Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B; Journal of Solid State Chemistry 84 (1990) 365–374; doi:10.1016/0022-4596(90)90334-T

data_1001441
_publ_section_title
;
A novel niobium phosphate bronze with a tunnel structure,
K~3~Nb~6~P~4~O~26~, member n=infinity of the series
(K~3~Nb~6~P~4~O~26~)n . KNb~2~PO~8~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              365
_journal_page_last               374
_journal_paper_doi               10.1016/0022-4596(90)90334-T
_journal_volume                  84
_journal_year                    1990
_chemical_formula_structural     'K3 Nb6 (P4 O26)'
_chemical_formula_sum            'K3 Nb6 O26 P4'
_chemical_name_systematic        'Tripotassium hexaniobium tetraphosphate'
_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            8
_cell_length_a                   14.7484(9)
_cell_length_b                   31.582(2)
_cell_length_c                   9.3859(6)
_cell_volume                     4371.8
_refine_ls_R_factor_all          0.044
_cod_database_code               1001441
The solid solution Pb~0.5~Sr~2.5~Y~1-x~Ca~x~Cu~2~O~7-d~: Superconductivity and structure
Rouillon, T; Provost, J; Hervieu, M; Groult, D; Michel, C; Raveau, B; Journal of Solid State Chemistry 84 (1990) 375–385; doi:10.1016/0022-4596(90)90335-U

data_1001442
_publ_section_title
;
The solid solution Pb~0.5~Sr~2.5~Y~1-x~Ca~x~Cu~2~O~7-d~:
Superconductivity and structure
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              375
_journal_page_last               385
_journal_paper_doi               10.1016/0022-4596(90)90335-U
_journal_volume                  84
_journal_year                    1990
_chemical_formula_structural     '(Pb0.5 Sr2.5) Y Cu2 O6.6'
_chemical_formula_sum            'Cu2 O6.6 Pb0.5 Sr2.5 Y'
_chemical_name_systematic
;
Lead strontium yttrium copper oxide (.5/2.5/1/2/6.6)
;
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8253(3)
_cell_length_b                   3.8253(3)
_cell_length_c                   11.891(1)
_cell_volume                     174.0
_refine_ls_R_factor_all          0.066
_cod_original_formula_sum        'Cu2 O6.6 Pb.5 Sr2.5 Y'
_cod_database_code               1001442
Synthese et structure du borate de thorium: ThB~2~O~5~
Cousson, A; Gasperin, M; Acta Crystallographica C (39,1983-) 47 (1991) 10–12; doi:

data_1001443
_publ_section_title
;
Synthese et structure du borate de thorium: ThB~2~O~5~
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              10
_journal_page_last               12
_journal_volume                  47
_journal_year                    1991
_chemical_formula_structural     'Th (B2 O5)'
_chemical_formula_sum            'B2 O5 Th'
_chemical_name_systematic        'Thorium diborate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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                 101.5(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.545(3)
_cell_length_b                   6.937(2)
_cell_length_c                   10.263(3)
_cell_volume                     805.4
_refine_ls_R_factor_all          0.07
_cod_database_code               1001443
Structure cristalline de l'oxyde a valence mixte TeMo~5~O~16~ orthorombique
Forestier, P; Goreaud, M; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993) 312 (1991) 1141–1145; doi:

data_1001444
_publ_section_title
;
Structure cristalline de l'oxyde a valence mixte TeMo~5~O~16~
orthorombique
;
_journal_coden_ASTM              CRAMED
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie 2 (1984-1993)
;
_journal_page_first              1141
_journal_page_last               1145
_journal_volume                  312
_journal_year                    1991
_chemical_formula_structural     'Te Mo5 O16'
_chemical_formula_sum            'Mo5 O16 Te'
_chemical_name_systematic        'Tellurium molybdenum oxide (1/5/16)'
_space_group_IT_number           28
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      28
_symmetry_space_group_name_Hall  'P -2a -2a'
_symmetry_space_group_name_H-M   'P m 2 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.010(1)
_cell_length_b                   4.0650(2)
_cell_length_c                   7.2254(4)
_cell_volume                     587.7
_refine_ls_R_factor_all          0.036
_cod_database_code               1001444
$-epsilon-NaMo~2~P~3~O~13~, a new structural form of the Mo(V) phosphates series AMo~2~^V^P~3~O~13~
Leclaire, A; Borel, M M; Grandin, A; Raveau, B; Journal of Solid State Chemistry 89 (1990) 10–15; doi:10.1016/0022-4596(90)90288-9

data_1001445
_publ_section_title
;
$-epsilon-NaMo~2~P~3~O~13~, a new structural form of the Mo(V)
phosphates series AMo~2~^V^P~3~O~13~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              10
_journal_page_last               15
_journal_paper_doi               10.1016/0022-4596(90)90288-9
_journal_volume                  89
_journal_year                    1990
_chemical_formula_structural     'Na (Mo2 P3 O13)'
_chemical_formula_sum            'Mo2 Na O13 P3'
_chemical_name_systematic        'Sodium dimolybdo(V)triphosphate - $-epsilon'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.08(5)
_cell_angle_beta                 85.33(4)
_cell_angle_gamma                79.10(4)
_cell_formula_units_Z            2
_cell_length_a                   6.352(3)
_cell_length_b                   7.448(5)
_cell_length_c                   10.991(6)
_cell_volume                     493.1
_refine_ls_R_factor_all          0.033
_cod_database_code               1001445
ζ-NaMo~2~P~3~O~13~, a second form of pentavalent molybdenum sodium phosphate
Costentin, G.; Borel, M. M.; Grandin, A.; Leclaire, A.; Raveau, B.; Journal of Solid State Chemistry 89 (1990) 31–38; doi:10.1016/0022-4596(90)90291-5

data_1001446
_publ_section_title
;
 \z-NaMo~2~P~3~O~13~, a second form of pentavalent molybdenum sodium
 phosphate
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              31
_journal_page_last               38
_journal_paper_doi               10.1016/0022-4596(90)90291-5
_journal_volume                  89
_journal_year                    1990
_chemical_formula_structural     'Na (Mo2 P3 O13)'
_chemical_formula_sum            'Mo2 Na O13 P3'
_chemical_name_systematic        'Sodium dimolybdo(V)triphosphate - \z'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 126.139(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3682(5)
_cell_length_b                   22.2546(11)
_cell_length_c                   8.6172(8)
_cell_volume                     986.3
_refine_ls_R_factor_all          0.062
_cod_database_code               1001446
A niobium phosphate bronze closely related to the tungsten phosphate bronzes family: Na~4~Nb~8~P~6~O~35~
Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B; Journal of Solid State Chemistry 89 (1990) 75–82; doi:10.1016/0022-4596(90)90295-9

data_1001447
_publ_section_title
;
A niobium phosphate bronze closely related to the tungsten phosphate
bronzes family: Na~4~Nb~8~P~6~O~35~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              75
_journal_page_last               82
_journal_paper_doi               10.1016/0022-4596(90)90295-9
_journal_volume                  89
_journal_year                    1990
_chemical_formula_structural     'Na4 Nb8 (P6 O35)'
_chemical_formula_sum            'Na4 Nb8 O35 P6'
_chemical_name_systematic        'Tetrasodium niobium phosphate (4/8/6)'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.4992(7)
_cell_length_b                   15.3390(8)
_cell_length_c                   10.5913(9)
_cell_volume                     1380.8
_refine_ls_R_factor_all          0.036
_cod_database_code               1001447
A molybdenum V diphosphate, BaMo~2~P~4~O~16~
Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B; Journal of Solid State Chemistry 89 (1990) 83–87; doi:10.1016/0022-4596(90)90296-A

data_1001448
_publ_section_title
;
A molybdenum V diphosphate, BaMo~2~P~4~O~16~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              83
_journal_page_last               87
_journal_paper_doi               10.1016/0022-4596(90)90296-A
_journal_volume                  89
_journal_year                    1990
_chemical_formula_structural     'Ba (Mo2 P4 O16)'
_chemical_formula_sum            'Ba Mo2 O16 P4'
_chemical_name_systematic        'Barium dimolybdo(V)tetraphosphate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 123.92(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.4394(4)
_cell_length_b                   12.378(1)
_cell_length_c                   9.1613(7)
_cell_volume                     605.9
_refine_ls_R_factor_all          0.031
_cod_database_code               1001448
The niobium phosphate bronze K~5-x~Nb~8~P~5~O~34~, a new tunnel structure, first member of the series (K~3~Nb~6~P~4~O~26~)~n~ . KNb~2~PO~8~
Benabbas, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B; Journal of Solid State Chemistry 87 (1990) 360–365; doi:10.1016/0022-4596(90)90038-Y

data_1001449
_publ_section_title
;
The niobium phosphate bronze K~5-x~Nb~8~P~5~O~34~, a new tunnel
structure, first member of the series (K~3~Nb~6~P~4~O~26~)~n~ .
KNb~2~PO~8~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              360
_journal_page_last               365
_journal_paper_doi               10.1016/0022-4596(90)90038-Y
_journal_volume                  87
_journal_year                    1990
_chemical_formula_structural     'K4 Nb8 (P5 O34)'
_chemical_formula_sum            'K4 Nb8 O34 P5'
_chemical_name_systematic        'Tetrapotassium octaniobium pentaphosphate'
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 125.05(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.904(6)
_cell_length_b                   6.453(3)
_cell_length_c                   20.64(1)
_cell_volume                     1516.0
_refine_ls_R_factor_all          0.029
_cod_database_code               1001449
A new series of bronzes and bronzoids with KNb~3~P~3~O~15~ structure
Borel, M M; Grandin, A; Costentin, G; Leclaire, A; Raveau, B; Materials Research Bulletin 25 (1990) 1155–1160; doi:10.1016/0025-5408(90)90145-R

data_1001450
_publ_section_title
;
A new series of bronzes and bronzoids with KNb~3~P~3~O~15~ structure
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1155
_journal_page_last               1160
_journal_paper_doi               10.1016/0025-5408(90)90145-R
_journal_volume                  25
_journal_year                    1990
_chemical_formula_structural     'Cs Nb3 (P3 O15)'
_chemical_formula_sum            'Cs Nb3 O15 P3'
_chemical_name_systematic        'Caesium niobium phosphate (1/3/3)'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.4454(10)
_cell_length_b                   14.8114(11)
_cell_length_c                   6.4422(7)
_cell_volume                     1282.9
_refine_ls_R_factor_all          0.031
_cod_database_code               1001450
LiFeP~2~O~7~: Structure and magnetic properties
Riou, D; Nguyen, N; Benloucif, R; Raveau, B; Materials Research Bulletin 25 (1990) 1363–1369; doi:10.1016/0025-5408(90)90218-Q

data_1001451
_publ_section_title
;
LiFeP~2~O~7~: Structure and magnetic properties
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1363
_journal_page_last               1369
_journal_paper_doi               10.1016/0025-5408(90)90218-Q
_journal_volume                  25
_journal_year                    1990
_chemical_formula_structural     'Li Fe (P2 O7)'
_chemical_formula_sum            'Fe Li O7 P2'
_chemical_name_systematic        'Lithium iron(III) diphosphate'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.387(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.8229(2)
_cell_length_b                   8.0813(5)
_cell_length_c                   6.9419(6)
_cell_volume                     255.2
_refine_ls_R_factor_all          0.028
_cod_database_code               1001451
Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5- 300)K by Neutron Powder Diffraction
Capponi, J J; Chaillout, C; Hewat, A W; Lejay, P; Marezio, M; Nguyen, N; Raveau, B; Soubeyroux, J L; Tholence, J L; Tournier, R; Europhysics Letters 3 (1987) 1301–1307; doi:10.1209/0295-5075/3/12/009

data_1001452
_publ_section_title
;
Structure of the 100 K Superconductor Ba~2~ Y Cu~3~ O~7~ between (5-
300)K by Neutron Powder Diffraction
;
_journal_coden_ASTM              EULEEJ
_journal_name_full               'Europhysics Letters'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.1209/0295-5075/3/12/009
_journal_volume                  3
_journal_year                    1987
_chemical_formula_structural     'Ba2 Y Cu3 O7'
_chemical_formula_sum            'Ba2 Cu3 O7 Y'
_chemical_name_systematic        'Barium yttrium copper oxide (2/1/3/7)'
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8128(1)
_cell_length_b                   3.8806(2)
_cell_length_c                   11.6303(5)
_cell_volume                     172.1
_refine_ls_R_factor_all          0.071
_cod_database_code               1001452