scripts/cif_fix_values: tests/cases/cif_fix_values_050.inp data_2013037: NOTE, data name '_chemical_melting_point' was changed to '_chemical_temperature_decomposition' since the value had been 'decomp. 1053 K'. The value 'decomp. 1053 K' was changed to '1053'.
data_2013037
loop_
_publ_author_name
'Kirik, Sergei D.'
'Zaitseva, Julia N.'
'Yakimov, Igor S.'
'Golovnev, Nikolay N.'
_publ_section_title
;
LiNa~2~AlF~6~: a powder structure solution
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              i159
_journal_page_last               i160
_journal_volume                  58
_journal_year                    2002
_chemical_formula_analytical     'Al F6 Li Na2'
_chemical_formula_iupac          'Li Na2 Al F6'
_chemical_formula_moiety         'Al F6 Li Na2'
_chemical_formula_structural     'Al F6 Li Na2'
_chemical_formula_sum            'Al F6 Li Na2'
_chemical_formula_weight         193.892
_chemical_name_common            'lithium sodium aluminium fluoride'
_chemical_temperature_decomposition 1053
_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
_cell_angle_beta                 90.005(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.2863(4)
_cell_length_b                   5.3603(4)
_cell_length_c                   7.5025(6)
_cell_measurement_temperature    293
_cell_volume                     212.59
_diffrn_ambient_temperature      295.0(10)
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_chemical_melting_point' was changed to
'_chemical_temperature_decomposition' since the value had been
'decomp. 1053 K'. The value 'decomp. 1053 K' was changed to '1053'.

Automatic conversion script
Id: <script_name> <revision_nr> <date> <time> <author> 
;
_cod_database_code               2013037
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
3 1/2-x,y+1/2,1/2-z
4 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
Al 0.0000 0.0000 0.0000 0.0087(6) Uiso 1.00 Al
Li 0.0000 0.0000 0.5000 0.014(2) Uiso 1.00 Li
Na -0.0078(7) 0.4658(3) 0.2506(6) 0.022(6) Uiso 1.00 Na
F1 0.0733(6) 0.0191(4) 0.2328(9) 0.0170(10) Uiso 1.00 F
F2 0.2232(7) 0.3092(7) 0.5341(9) 0.0150(10) Uiso 1.00 F
F3 0.1941(6) 0.2730(6) 0.9632(7) 0.0140(10) Uiso 1.00 F
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Li F3 . 3_546 2.042(3) yes
Na F3 . 2_566 2.346(6) yes
Al F2 . 3_545 1.803(4) yes
Na F3 1_556 . 2.618(6) yes
Al F3 . 1_554 1.808(3) yes
Li F1 . . 2.044(7) yes
Al F1 . . 1.792(7) yes
Li F2 . 2_556 2.051(4) yes
Na F1 . 3_555 2.318(5) yes
Na F2 . . 2.592(7) yes
Na F1 . . 2.436(3) yes
Na F2 2_566 . 2.315(7) yes
Na F2 . 4_454 2.614(6) yes
Na F3 4_555 . 2.582(6) yes
