data_global
_chemical_name 'Halite'
loop_
_publ_author_name
'Finger L W'
'King H E'
_journal_name_full "American Mineralogist"
_journal_volume 63
_journal_year 1978
_journal_page_first 337
_journal_page_last 342
_publ_section_title
;
A revised method of operation of the single-crystal diamond cell and refinement
of the structure of NaCl at 32 kbar
;
_chemical_formula_sum 'Na Cl'
_cell_length_a 5.4533
_cell_length_b 5.4533
_cell_length_c 5.4533
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 162.173
_symmetry_space_group_name_H-M 'F m 3 m'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'x,1/2+y,1/2+z'
'1/2+x,y,1/2+z'
'1/2+x,1/2+y,z'
'z,-x,y'
'z,1/2-x,1/2+y'
'1/2+z,-x,1/2+y'
'1/2+z,1/2-x,y'
'-y,z,-x'
'-y,1/2+z,1/2-x'
'1/2-y,z,1/2-x'
'1/2-y,1/2+z,-x'
'x,-y,z'
'x,1/2-y,1/2+z'
'1/2+x,-y,1/2+z'
'1/2+x,1/2-y,z'
'-z,x,-y'
'-z,1/2+x,1/2-y'
'1/2-z,x,1/2-y'
'1/2-z,1/2+x,-y'
'y,-z,x'
'y,1/2-z,1/2+x'
'1/2+y,-z,1/2+x'
'1/2+y,1/2-z,x'
'-x,y,-z'
'-x,1/2+y,1/2-z'
'1/2-x,y,1/2-z'
'1/2-x,1/2+y,-z'
'x,-z,-y'
'x,1/2-z,1/2-y'
'1/2+x,-z,1/2-y'
'1/2+x,1/2-z,-y'
'-z,y,x'
'-z,1/2+y,1/2+x'
'1/2-z,y,1/2+x'
'1/2-z,1/2+y,x'
'y,-x,-z'
'y,1/2-x,1/2-z'
'1/2+y,-x,1/2-z'
'1/2+y,1/2-x,-z'
'-x,z,y'
'-x,1/2+z,1/2+y'
'1/2-x,z,1/2+y'
'1/2-x,1/2+z,y'
'z,-y,-x'
'z,1/2-y,1/2-x'
'1/2+z,-y,1/2-x'
'1/2+z,1/2-y,-x'
'-y,x,z'
'-y,1/2+x,1/2+z'
'1/2-y,x,1/2+z'
'1/2-y,1/2+x,z'
'x,z,y'
'x,1/2+z,1/2+y'
'1/2+x,z,1/2+y'
'1/2+x,1/2+z,y'
'-z,-y,-x'
'-z,1/2-y,1/2-x'
'1/2-z,-y,1/2-x'
'1/2-z,1/2-y,-x'
'y,x,z'
'y,1/2+x,1/2+z'
'1/2+y,x,1/2+z'
'1/2+y,1/2+x,z'
'-x,-z,-y'
'-x,1/2-z,1/2-y'
'1/2-x,-z,1/2-y'
'1/2-x,1/2-z,-y'
'z,y,x'
'z,1/2+y,1/2+x'
'1/2+z,y,1/2+x'
'1/2+z,1/2+y,x'
'-y,-x,-z'
'-y,1/2-x,1/2-z'
'1/2-y,-x,1/2-z'
'1/2-y,1/2-x,-z'
'z,x,-y'
'z,1/2+x,1/2-y'
'1/2+z,x,1/2-y'
'1/2+z,1/2+x,-y'
'-y,-z,x'
'-y,1/2-z,1/2+x'
'1/2-y,-z,1/2+x'
'1/2-y,1/2-z,x'
'x,y,-z'
'x,1/2+y,1/2-z'
'1/2+x,y,1/2-z'
'1/2+x,1/2+y,-z'
'-z,-x,y'
'-z,1/2-x,1/2+y'
'1/2-z,-x,1/2+y'
'1/2-z,1/2-x,y'
'y,z,-x'
'y,1/2+z,1/2-x'
'1/2+y,z,1/2-x'
'1/2+y,1/2+z,-x'
'-x,-y,z'
'-x,1/2-y,1/2+z'
'1/2-x,-y,1/2+z'
'1/2-x,1/2-y,z'
'-z,x,y'
'-z,1/2+x,1/2+y'
'1/2-z,x,1/2+y'
'1/2-z,1/2+x,y'
'y,-z,-x'
'y,1/2-z,1/2-x'
'1/2+y,-z,1/2-x'
'1/2+y,1/2-z,-x'
'-x,y,z'
'-x,1/2+y,1/2+z'
'1/2-x,y,1/2+z'
'1/2-x,1/2+y,z'
'z,-x,-y'
'z,1/2-x,1/2-y'
'1/2+z,-x,1/2-y'
'1/2+z,1/2-x,-y'
'-y,z,x'
'-y,1/2+z,1/2+x'
'1/2-y,z,1/2+x'
'1/2-y,1/2+z,x'
'x,-y,-z'
'x,1/2-y,1/2-z'
'1/2+x,-y,1/2-z'
'1/2+x,1/2-y,-z'
'-x,z,-y'
'-x,1/2+z,1/2-y'
'1/2-x,z,1/2-y'
'1/2-x,1/2+z,-y'
'z,-y,x'
'z,1/2-y,1/2+x'
'1/2+z,-y,1/2+x'
'1/2+z,1/2-y,x'
'-y,x,-z'
'-y,1/2+x,1/2-z'
'1/2-y,x,1/2-z'
'1/2-y,1/2+x,-z'
'x,-z,y'
'x,1/2-z,1/2+y'
'1/2+x,-z,1/2+y'
'1/2+x,1/2-z,y'
'-z,y,-x'
'-z,1/2+y,1/2-x'
'1/2-z,y,1/2-x'
'1/2-z,1/2+y,-x'
'y,-x,z'
'y,1/2-x,1/2+z'
'1/2+y,-x,1/2+z'
'1/2+y,1/2-x,z'
'-x,-z,y'
'-x,1/2-z,1/2+y'
'1/2-x,-z,1/2+y'
'1/2-x,1/2-z,y'
'z,y,-x'
'z,1/2+y,1/2-x'
'1/2+z,y,1/2-x'
'1/2+z,1/2+y,-x'
'-y,-x,z'
'-y,1/2-x,1/2+z'
'1/2-y,-x,1/2+z'
'1/2-y,1/2-x,z'
'x,z,-y'
'x,1/2+z,1/2-y'
'1/2+x,z,1/2-y'
'1/2+x,1/2+z,-y'
'-z,-y,x'
'-z,1/2-y,1/2+x'
'1/2-z,-y,1/2+x'
'1/2-z,1/2-y,x'
'y,x,-z'
'y,1/2+x,1/2-z'
'1/2+y,x,1/2-z'
'1/2+y,1/2+x,-z'
'-z,-x,-y'
'-z,1/2-x,1/2-y'
'1/2-z,-x,1/2-y'
'1/2-z,1/2-x,-y'
'y,z,x'
'y,1/2+z,1/2+x'
'1/2+y,z,1/2+x'
'1/2+y,1/2+z,x'
'-x,-y,-z'
'-x,1/2-y,1/2-z'
'1/2-x,-y,1/2-z'
'1/2-x,1/2-y,-z'
'z,x,y'
'z,1/2+x,1/2+y'
'1/2+z,x,1/2+y'
'1/2+z,1/2+x,y'
'-y,-z,-x'
'-y,1/2-z,1/2-x'
'1/2-y,-z,1/2-x'
'1/2-y,1/2-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Na   0.00000   0.00000   0.00000   0.01849
Cl   0.50000   0.50000   0.50000   0.01494

