data_global
_chemical_name_mineral 'Cryolite'
loop_
_publ_author_name
'Hawthorne F C'
'Ferguson R B'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 13 
_journal_year 1975
_journal_page_first 377
_journal_page_last 382
_publ_section_title
;
 Refinement of the crystal structure of cryolite
;
_database_code_amcsd 0005118
_chemical_formula_sum 'Al Na3 F6'
_cell_length_a 5.4024
_cell_length_b 5.5959
_cell_length_c 7.7564
_cell_angle_alpha 90
_cell_angle_beta 90.278
_cell_angle_gamma 90
_cell_volume 234.483
_exptl_crystal_density_diffrn      2.973
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al   0.00000   0.00000   0.00000
Na1   0.00000   0.00000   0.50000
Na2   0.51330  -0.05190   0.24740
F1   0.10260   0.04550   0.21940
F2  -0.27320   0.17370   0.04620
F3   0.16340   0.26900  -0.06300
loop_
_atom_site_aniso_label
_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
Al 0.00825 0.00827 0.00872 0.00000 0.00004 0.00000
Na1 0.01359 0.01356 0.01365 0.00000 -0.00053 0.00000
Na2 0.01825 0.01767 0.02310 -0.00268 0.00004 0.00033
F1 0.01931 0.02023 0.01033 0.00055 -0.00344 -0.00169
F2 0.01382 0.01731 0.01972 0.00671 0.00376 0.00183
F3 0.01684 0.01344 0.02246 -0.00513 -0.00134 0.00526