data_global
_amcsd_formula_title 'Na2Ca3Al2F14'
loop_
_publ_author_name
'Courbion G'
'Ferey G'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 76 
_journal_year 1988
_journal_page_first 426
_journal_page_last 431
_publ_section_title
;
 Na2Ca3Al2F14: A New Example of a Structure with "Independent F"
 - A New Method of Comparison between Fluorides and Oxides of Different Formula
 _cod_database_code 1000236
;
_database_code_amcsd 0013623
_chemical_formula_sum 'Ca3 Al2 Na2 F14'
_cell_length_a 10.257
_cell_length_b 10.257
_cell_length_c 10.257
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1079.098
_exptl_crystal_density_diffrn      2.992
_symmetry_space_group_name_H-M 'I 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '-z,1/2+x,1/2-y'
  '1/2-z,+x,-y'
  '1/2+z,1/2-x,-y'
  '+z,-x,1/2-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2-z,+x'
  '-y,1/2+z,1/2-x'
  '1/2-y,+z,-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  '1/2+x,1/2-y,-z'
  '+x,-y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.46670   0.00000   0.25000
Al1   0.24820   0.24820   0.24820
Na1   0.08470   0.08470   0.08470
F1   0.13870   0.30620   0.12060
F2   0.36400   0.36270   0.18730
F3   0.46140   0.46140   0.46140
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
Ca1 0.00780 0.00910 0.00780 0.00000 0.00000 0.00000
Al1 0.00750 0.00750 0.00750 -0.00020 -0.00020 -0.00020
Na1 0.02730 0.02730 0.02730 -0.00880 -0.00880 -0.00880
F1 0.01140 0.01270 0.01250 0.00250 -0.00290 -0.00070
F2 0.01310 0.01470 0.01540 0.00260 -0.00060 -0.00590
F3 0.01040 0.01040 0.01040 0.00140 0.00140 0.00140