LMucko/crystallography-open-database huggingface dataset:
Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra
Rustad, J.R.; Felmy, A.R.; Bylaska, E.J.; Rosso, K.M.; American Mineralogist 88 (2003) 436–449; doi:

data_1532134
_publ_section_title
;
 Ab initio investigation of the structures of Na O H hydrates and their
 Na(+) and (O H)(-) coordination polyhedra
;
_journal_name_full               'American Mineralogist'
_journal_page_first              436
_journal_page_last               449
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'H8 Na O4.5'
_chemical_name_systematic        'Na (O H) (H2 O)3.5'
_space_group_IT_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                 104.14
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.567
_cell_length_b                   12.514
_cell_length_c                   11.829
_cell_volume                     942.648
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Rustad_AMMIAY_2003_1800.cif
_cod_data_source_block           H8Na1O4.5
_cod_original_cell_volume        942.6476
_cod_original_formula_sum        'H8 Na1 O4.5'
_cod_database_code               1532134
Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra
Rustad, J.R.; Felmy, A.R.; Rosso, K.M.; Bylaska, E.J.; American Mineralogist 88 (2003) 436–449; doi:

data_1532135
_publ_section_title
;
 Ab initio investigation of the structures of Na O H hydrates and their
 Na(+) and (O H)(-) coordination polyhedra
;
_journal_name_full               'American Mineralogist'
_journal_page_first              436
_journal_page_last               449
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'H9 Na O5'
_chemical_name_systematic        'Na (O H) (H2 O)4'
_space_group_IT_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                 118.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.666
_cell_length_b                   4.284
_cell_length_c                   9.731
_cell_volume                     574.912
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Rustad_AMMIAY_2003_1801.cif
_cod_data_source_block           H9Na1O5
_cod_original_cell_volume        574.9123
_cod_original_formula_sum        'H9 Na1 O5'
_cod_database_code               1532135
Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra
Rustad, J.R.; Rosso, K.M.; Felmy, A.R.; Bylaska, E.J.; American Mineralogist 88 (2003) 436–449; doi:

data_1532136
_publ_section_title
;
 Ab initio investigation of the structures of Na O H hydrates and their
 Na(+) and (O H)(-) coordination polyhedra
;
_journal_name_full               'American Mineralogist'
_journal_page_first              436
_journal_page_last               449
_journal_volume                  88
_journal_year                    2003
_chemical_formula_sum            'H9 Na O5'
_chemical_name_systematic        'Na (O H) (H2 O)4'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.621
_cell_length_b                   6.506
_cell_length_c                   13.231
_cell_volume                     569.942
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Rustad_AMMIAY_2003_1802.cif
_cod_data_source_block           H9Na1O5
_cod_original_cell_volume        569.9415
_cod_original_formula_sum        'H9 Na1 O5'
_cod_database_code               1532136
The cation-deficient Ruddlesden-Popper oxysulfide Y2 Ti2 O5 S2 as a layered sulfide: topotactic potassium intercalation to form K Y2 Ti2 O5 S2
Rutt, O.J.; Hill, T.L.; Gal, Z.A.; Hayward, M.A.; Clarke, S.J.; Inorganic Chemistry 42 (2003) 7906–7911; doi:

data_4344140
_publ_section_title
;
 The cation-deficient Ruddlesden-Popper oxysulfide Y2 Ti2 O5 S2 as a
 layered sulfide: topotactic potassium intercalation to form K Y2 Ti2 O5
 S2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7906
_journal_page_last               7911
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'K O5 S2 Ti2 Y2'
_chemical_name_systematic        'K Y2 Ti2 O5 S2'
_space_group_IT_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                   3.71562
_cell_length_b                   3.71562
_cell_length_c                   14.8682
_cell_volume                     205.268
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Rutt_INOCAJ_2003_1847.cif
_cod_data_source_block           K1O5S2Ti2Y2
_cod_original_cell_volume        205.2679
_cod_original_formula_sum        'K1 O5 S2 Ti2 Y2'
_cod_database_code               4344140
Structural and magnetic characterization of R Cr O4 oxides (R = Nd, Er and Tm)
Saez-Puche, R.; Jimenez, E.; Fernandez-Diaz, M.T.; Isasi, J.; Garcia-Munoz, J.L.; Journal of Solid State Chemistry 171 (2003) 161–169; doi:

data_1532137
_publ_section_title
;
 Structural and magnetic characterization of R Cr O4 oxides (R = Nd, Er
 and Tm)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              161
_journal_page_last               169
_journal_volume                  171
_journal_year                    2003
_chemical_formula_sum            'Cr Nd O4'
_chemical_name_systematic        'Nd (Cr O4)'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.266
_cell_length_b                   7.266
_cell_length_c                   6.358
_cell_volume                     335.669
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Saez-Puche_JSSCBI_2003_1507.cif
_cod_data_source_block           Cr1Nd1O4
_cod_original_formula_sum        'Cr1 Nd1 O4'
_cod_database_code               1532137
Structural and magnetic characterization of R Cr O4 oxides (R = Nd,Er and Tm)
Saez-Puche, R.; Jimenez, E.; Isasi, J.; Fernandez-Diaz, M.T.; Garcia-Munoz, J.L.; Journal of Solid State Chemistry 171 (2003) 161–169; doi:

data_1532138
_publ_section_title
;
 Structural and magnetic characterization of R Cr O4 oxides (R = Nd,Er and
 Tm)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              161
_journal_page_last               169
_journal_volume                  171
_journal_year                    2003
_chemical_formula_sum            'Cr Er O4'
_chemical_name_systematic        'Er (Cr O4)'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.055
_cell_length_b                   7.055
_cell_length_c                   6.193
_cell_volume                     308.244
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Saez-Puche_JSSCBI_2003_1508.cif
_cod_data_source_block           Cr1Er1O4
_cod_original_cell_volume        308.2443
_cod_original_formula_sum        'Cr1 Er1 O4'
_cod_database_code               1532138
Structural and magnetic characterization of R Cr O4 oxides (R = Nd,Er and Tm)
Saez-Puche, R.; Garcia-Munoz, J.L.; Jimenez, E.; Isasi, J.; Fernandez-Diaz, M.T.; Journal of Solid State Chemistry 171 (2003) 161–169; doi:

data_1532139
_publ_section_title
;
 Structural and magnetic characterization of R Cr O4 oxides (R = Nd,Er and
 Tm)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              161
_journal_page_last               169
_journal_volume                  171
_journal_year                    2003
_chemical_formula_sum            'Cr O4 Tm'
_chemical_name_systematic        'Tm (Cr O4)'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.032
_cell_length_b                   7.032
_cell_length_c                   6.181
_cell_volume                     305.644
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Saez-Puche_JSSCBI_2003_1509.cif
_cod_data_source_block           Cr1O4Tm1
_cod_original_cell_volume        305.6444
_cod_original_formula_sum        'Cr1 O4 Tm1'
_cod_database_code               1532139
Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2 S2 C)
Sakamaki, K.; Wada, H.; Kawai, M.; Nozaki, H.; Onuki, Y.; Journal of Alloys Compd. 339 (2002) 283–292; doi:

data_1532140
_publ_section_title
;
 Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2
 S2 C)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              283
_journal_page_last               292
_journal_volume                  339
_journal_year                    2002
_chemical_formula_sum            'C Cu0.45 Nb2 S2'
_chemical_name_systematic        'Cu0.45 Nb2 S2 C'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.3104
_cell_length_b                   3.3104
_cell_length_c                   9.0085
_cell_volume                     85.496
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Sakamaki_JALCEU_2002_495.cif
_cod_data_source_block           C1Cu0.45Nb2S2
_cod_original_cell_volume        85.49566
_cod_original_formula_sum        'C1 Cu0.45 Nb2 S2'
_cod_database_code               1532140
Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2 S2 C)
Sakamaki, K.; Wada, H.; Nozaki, H.; Kawai, M.; Onuki, Y.; Journal of Alloys Compd. 339 (2002) 283–292; doi:

data_1532141
_publ_section_title
;
 Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2
 S2 C)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              283
_journal_page_last               292
_journal_volume                  339
_journal_year                    2002
_chemical_formula_sum            'C Cu0.58 Nb2 S2'
_chemical_name_systematic        'Cu0.58 Nb2 S2 C'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.3168
_cell_length_b                   3.3168
_cell_length_c                   9.0245
_cell_volume                     85.979
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Sakamaki_JALCEU_2002_496.cif
_cod_data_source_block           C1Cu0.58Nb2S2
_cod_original_formula_sum        'C1 Cu0.58 Nb2 S2'
_cod_database_code               1532141
Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2 S2 C)
Sakamaki, K.; Wada, H.; Kawai, M.; Nozaki, H.; Onuki, Y.; Journal of Alloys Compd. 339 (2002) 283–292; doi:

data_1532142
_publ_section_title
;
 Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2
 S2 C)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              283
_journal_page_last               292
_journal_volume                  339
_journal_year                    2002
_chemical_formula_sum            'C Nb2 S2'
_chemical_name_systematic        'Nb2 S2 C'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.269
_cell_length_b                   3.269
_cell_length_c                   8.547
_cell_volume                     79.100
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Sakamaki_JALCEU_2002_497.cif
_cod_data_source_block           C1Nb2S2
_cod_original_cell_volume        79.09958
_cod_original_formula_sum        'C1 Nb2 S2'
_cod_database_code               1532142
Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2 S2 C)
Sakamaki, K.; Nozaki, H.; Wada, H.; Onuki, Y.; Kawai, M.; Journal of Alloys Compd. 339 (2002) 283–292; doi:

data_1532143
_publ_section_title
;
 Topochemical formation of van der Waals type niobium carbosulfide 1T-(Nb2
 S2 C)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              283
_journal_page_last               292
_journal_volume                  339
_journal_year                    2002
_chemical_formula_sum            'C Nb2 S2'
_chemical_name_systematic        'Nb2 S2 C'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.274
_cell_length_b                   3.274
_cell_length_c                   25.465
_cell_volume                     236.391
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Sakamaki_JALCEU_2002_499.cif
_cod_data_source_block           C1Nb2S2
_cod_original_cell_volume        236.3914
_cod_original_formula_sum        'C1 Nb2 S2'
_cod_database_code               1532143
Crystal structure of the Nd (Cd, Si)2 compound
Salamakha, P.; Sologub, O.L.; Demchenko, P.; Righi, L.; Bocelli, G.; Journal of Alloys Compd. 335 (2002) 142–148; doi:

data_1532144
_publ_section_title
;
 Crystal structure of the Nd (Cd, Si)2 compound
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              142
_journal_page_last               148
_journal_volume                  335
_journal_year                    2002
_chemical_formula_sum            'Cd0.83 Nd Si1.17'
_chemical_name_systematic        'Nd (Cd0.83 Si1.17)'
_space_group_IT_number           12
_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                 129.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.969
_cell_length_b                   4.061
_cell_length_c                   7.038
_cell_volume                     243.470
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Salamakha_JALCEU_2002_420.cif
_cod_data_source_block           Cd0.83Nd1Si1.17
_cod_original_cell_volume        243.4696
_cod_original_formula_sum        'Cd0.83 Nd1 Si1.17'
_cod_database_code               1532144
Hydrogen bond network of the layered phosphates gamma-(Zr (H2 P O4) (P O4) * 2(H2 O)) and gamma-(Hf (H2 P O4) (P O4) * 2(H2 O)) determined by neutron powder diffraction
Salvado, M.A.; Pertierra, P.; Barcina, L.M.; Llavona, R.; Garcia-Granda, S.; Rodriguez, J.; Zeitschrift fuer Kristallographie (149,1979-) 216 (2001) 326–330; doi:

data_8103780
_publ_section_title
;
 Hydrogen bond network of the layered phosphates gamma-(Zr (H2 P O4) (P
 O4) * 2(H2 O)) and gamma-(Hf (H2 P O4) (P O4) * 2(H2 O)) determined by
 neutron powder diffraction
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              326
_journal_page_last               330
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'H6 O10 P2 Zr'
_chemical_name_systematic        'Zr (H2 P O4) (P O4) (H2 O)2'
_space_group_IT_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                 98.663
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3746
_cell_length_b                   6.626
_cell_length_c                   12.3945
_cell_volume                     436.358
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Salvado_ZEKRDZ_2001_64.cif
_cod_data_source_block           H6O10P2Zr1
_cod_original_cell_volume        436.3584
_cod_original_formula_sum        'H6 O10 P2 Zr1'
_cod_database_code               8103780
Hydrogen bond network of the layered phosphates gamma-(Zr (H2 P O4) (P O4) * 2(H2 O)) and gamma-(Hf (H2 P O4) (P O4) * 2(H2 O)) determined by neutron powder diffraction
Salvado, M.A.; Llavona, R.; Pertierra, P.; Barcina, L.M.; Garcia-Granda, S.; Rodriguez, J.; Zeitschrift fuer Kristallographie (149,1979-) 216 (2001) 326–330; doi:

data_8103781
_publ_section_title
;
 Hydrogen bond network of the layered phosphates gamma-(Zr (H2 P O4) (P
 O4) * 2(H2 O)) and gamma-(Hf (H2 P O4) (P O4) * 2(H2 O)) determined by
 neutron powder diffraction
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              326
_journal_page_last               330
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'H6 Hf O10 P2'
_chemical_name_systematic        'Hf (H2 P O4) (P O4) (H2 O)2'
_space_group_IT_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                 98.54
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.349
_cell_length_b                   6.5924
_cell_length_c                   12.398
_cell_volume                     432.340
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Salvado_ZEKRDZ_2001_65.cif
_cod_data_source_block           H6Hf1O10P2
_cod_original_cell_volume        432.3402
_cod_original_formula_sum        'H6 Hf1 O10 P2'
_cod_database_code               8103781
Synthesis and properties of Ba3 Na Ru2 O9-d and Ba3 (Na, R) Ru2 O9-d (R = rare earth) crystals
Samata, H.; Kai, M.; Uchida, T.; Ohtsuka, M.; Taniguchi, T.; Tanaka, G.; Sawada, S.; Nagata, Y.; Journal of Alloys Compd. 350 (2003) 77–85; doi:

data_1532145
_publ_section_title
;
 Synthesis and properties of Ba3 Na Ru2 O9-d and Ba3 (Na, R) Ru2 O9-d (R =
 rare earth) crystals
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              77
_journal_page_last               85
_journal_volume                  350
_journal_year                    2003
_chemical_formula_sum            'Ba3 Na O9 Ru2'
_chemical_name_systematic        'Na Ba3 (Ru2 O9)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.865
_cell_length_b                   5.865
_cell_length_c                   14.421
_cell_volume                     429.598
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Samata_JALCEU_2003_1327.cif
_cod_data_source_block           Ba3Na1O9Ru2
_cod_original_cell_volume        429.5977
_cod_original_formula_sum        'Ba3 Na1 O9 Ru2'
_cod_database_code               1532145
Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S and A Cl derivatives (A = Na, K, Rb)
Stoltz, C.; Sirchio, S.A.; Ramesha, K.; Gonen, Z.S.; Eichhorn, B.W.; Salamanca-Riba, L.; Gopalakrishnan, J.; Journal of the American Chemical Society 125 (2003) 4285–4292; doi:

data_4124514
_publ_section_title
;
 Topochemical anion metathesis routes to the Zr2 N2 S phases and the Na2 S
 and A Cl derivatives (A = Na, K, Rb)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4285
_journal_page_last               4292
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'N2 S Zr2'
_chemical_name_systematic        'Zr2 N2 S'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.611
_cell_length_b                   3.611
_cell_length_c                   12.818
_cell_volume                     144.746
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Stoltz_JACSAT_2003_1867.cif
_cod_data_source_block           N2S1Zr2
_cod_original_cell_volume        144.7458
_cod_original_formula_sum        'N2 S1 Zr2'
_cod_database_code               4124514
Neutron-diffraction study of the Jahn-Teller transition in Pr Mn O3
Sanchez, D.; Alonso, J.A.; Martinez-Lope, M.J.; Journal of the Chemical Society. Dalton Transactions 2002 (2002) 4422–4425; doi:

data_7036573
_publ_section_title
;
 Neutron-diffraction study of the Jahn-Teller transition in Pr Mn O3
;
_journal_name_full
'Journal of the Chemical Society. Dalton Transactions'
_journal_page_first              4422
_journal_page_last               4425
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_sum            'Mn O3 Pr'
_chemical_name_systematic        'Pr (Mn O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4492
_cell_length_b                   5.813
_cell_length_c                   7.5856
_cell_volume                     240.283
_citation_journal_id_ASTM        JCSDAA
_cod_data_source_file            Sanchez_JCSDAA_2002_1956.cif
_cod_data_source_block           Mn1O3Pr1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Mn1 O3 Pr1'
_cod_database_code               7036573