# Data block does not contain any incomplete data item groupings.
data_[PASS]_no_incomplete_groupings
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C C 0.5 0.5 0.5

# Data block is missing the '_atom_site_fract_x' data item
# from the ATOM_SITE_FRACT grouping.
data_[FAIL]_incomplete_atom_frac
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_y
_atom_site_fract_z
C C 0.5 0.5

# Data block is missing the '_atom_site_fract_y' data item
# from the ATOM_SITE_FRACT grouping.
data_[FAIL]_incomplete_atom_frac
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_z
C C 0.5 0.5

# Data block is missing the '_atom_site_fract_z' data item
# from the ATOM_SITE_FRACT grouping.
data_[FAIL]_incomplete_atom_frac
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
C C 0.5 0.5

# Data block is missing the  '_atom_site_fract_y' and '_atom_site_fract_z'
# data items from the ATOM_SITE_FRACT grouping.
data_[FAIL]_incomplete_atom_frac
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
C C 0.5 0.5

# Data block is missing the '_atom_site_Cartn_y' data item
# from the ATOM_SITE_CARTN grouping.
data_[FAIL]_incomplete_atom_Cartn
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_Cartn_x
_atom_site_Cartn_z
C C 0.5 0.5

# Data block is missing the '_atom_site_aniso_U_13' and '_atom_site_aniso_U_22'
# data items from the ATOM_SITE_ANISO_U grouping.
data_[FAIL]_incomplete_aniso_U
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_23
_atom_site_aniso_U_33
C 0.10(1) 0.15(1)  0.30(1) 0.35(1)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C C 0.5 0.5 0.5

# Data block is missing the '_atom_site_aniso_B_13' and '_atom_site_aniso_B_22'
# data items from the ATOM_SITE_ANISO_B grouping.
data_[FAIL]_incomplete_aniso_B
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_B_11
_atom_site_aniso_B_12
_atom_site_aniso_B_23
_atom_site_aniso_B_33
C 0.10(1) 0.15(1) 0.30(1) 0.35(1)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C C 0.5 0.5 0.5

# Data block is missing the '_atom_site_fract_x' and '_atom_site_fract_z'
# data items from the ATOM_SITE grouping a well as the '_atom_site_aniso_U_12'
# data item from the ATOM_SITE_ANISO grouping.
data_[FAIL]_several_incomplete_groupings
loop_
_publ_author_name               'Tester, Software'
_journal_name_full              'Fake journal used for CIF software testing purposes'
_publ_section_title             'Fake title used for CIF software testing purposes'
_journal_paper_doi              10.5555/1234567
_journal_year                   1950
_journal_volume                 1950
_journal_issue                  1
_journal_page_first             1
_journal_page_last              1
_space_group_name_H-M_alt       'P 1'
_space_group_name_Hall          'P 1'
_cell_formula_units_Z           1
_cell_length_a                  5
_cell_length_b                  5
_cell_length_c                  5
_cell_angle_alpha               90
_cell_angle_beta                90
_cell_angle_gamma               90
_chemical_formula_sum           C
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
C 0.15(1) 0.20(1) 0.25(1) 0.30(1) 0.35(1)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_y
C C 0.5
