data_global
_chemical_name_mineral 'Malladrite'
loop_
_publ_author_name
'Zalkin A'
'Forrester J D'
'Templeton D H'
_journal_name_full 'Acta Crystallographica'
_journal_volume 17 
_journal_year 1964
_journal_page_first 1408
_journal_page_last 1412
_publ_section_title
;
 The crystal structure of sodium fluorosilicate
;
_database_code_amcsd 0009291
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na2 Si F6'
_cell_length_a 8.859
_cell_length_b 8.859
_cell_length_c 5.038
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 342.419
_exptl_crystal_density_diffrn      2.736
_symmetry_space_group_name_H-M 'P 3 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '-y,x-y,z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1   0.37900   0.37900   0.00000
Na2   0.71430   0.71430   0.50000
Si1   0.00000   0.00000   0.00000
Si2   0.33333   0.66667   0.50620
F1   0.08700  -0.09200   0.80990
F2   0.44420  -0.40100   0.70070
F3   0.22990  -0.26000   0.30980
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
Na1 0.03040 0.03040 0.01647 0.01140 0.00127 -0.00127
Na2 0.02027 0.02027 0.03166 0.00887 -0.00127 0.00127
Si1 0.01646 0.01646 0.02406 0.00760 0.00000 0.00000
Si2 0.01393 0.01393 0.01647 0.00633 0.00000 0.00000
F1 0.00456 0.03420 0.03926 0.02660 0.01140 -0.00507
F2 0.02027 0.02406 0.02913 0.01520 0.00633 0.01646
F3 0.02406 0.03166 0.02913 0.01646 -0.00507 -0.00253