# Data block contains all isotropic atomic displacement components (Biso)
data_adp_as_B_iso
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                   2000
_journal_volume                 2000
_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           H
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
_atom_site_B_iso_or_equiv
H H 0.5 0.5 0.5 0.1

# Data block contains all isotropic atomic displacement components (Uiso)
data_adp_as_U_iso
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                   2000
_journal_volume                 2000
_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           H
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
_atom_site_U_iso_or_equiv
H H 0.5 0.5 0.5 0.1

# Data block contains all anisotropic atomic displacement components (Bij)
data_adp_as_B_aniso_all_items
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                   2000
_journal_volume                 2000
_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           H
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_B_11
_atom_site_aniso_B_22
_atom_site_aniso_B_33
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_23
H H 1 1 1.5 0.5 0 0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H H 0.5 0.5 0.5

# Data block contains all anisotropic atomic displacement components (Uij)
data_adp_as_U_aniso_all_items
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                   2000
_journal_volume                 2000
_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           H
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
H H 1 1 1.5 0.5 0 0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H H 0.5 0.5 0.5

# Data block contains all anisotropic atomic displacement components (Bij)
# except for _atom_site_aniso_B_13 and _atom_site_aniso_B_23
data_adp_as_B_aniso_some_items
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                   2000
_journal_volume                 2000
_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           H
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_B_11
_atom_site_aniso_B_22
_atom_site_aniso_B_33
_atom_site_aniso_B_12
H H 1 1 1.5 0.5
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H H 0.5 0.5 0.5

# Data block contains all anisotropic atomic displacement components (Uij)
# except for _atom_site_aniso_U_13 and _atom_site_aniso_U_23
data_adp_as_U_aniso_some_items
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                   2000
_journal_volume                 2000
_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           H
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
H H 1 1 1.5 0.5
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H H 0.5 0.5 0.5

# Data block contains no atomic displacement parameters information
# and is published after 1969
data_no_adp_published_after_1969
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                   2000
_journal_volume                 2000
_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           H
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
H H 0.5 0.5 0.5

# Data block contains no atomic displacement parameters information
# and is published after 1969
data_no_adp_published_before_1969
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           H
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
H H 0.5 0.5 0.5

