data_global
_amcsd_formula_title 'Na2Ba3Cr4F20'
loop_
_publ_author_name
'Abjean P'
'Leblanc M'
'De P'
'Ferey G'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 1696
_journal_page_last 1698
_publ_section_title
;
 Structure of Na2Ba3Cr4F20
 _cod_database_code 1000338
;
_database_code_amcsd 0010017
_chemical_formula_sum 'Na2 Ba3 Cr4 F20'
_cell_length_a 7.262
_cell_length_b 20.668
_cell_length_c 5.431
_cell_angle_alpha 90
_cell_angle_beta 90.76
_cell_angle_gamma 90
_cell_volume 815.073
_exptl_crystal_density_diffrn      4.262
_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
Na1   0.77360   0.40940  -0.01390
Ba1   0.00000   0.00000   0.00000
Ba2   0.49470   0.27690  -0.47630
Cr1   0.46750   0.13860  -0.02700
Cr2   0.28790   0.39650  -0.01920
F1   0.29570   0.17910  -0.24070
F2   0.30720   0.06770   0.00090
F3   0.27300   0.30650  -0.04980
F4   0.14470   0.40660  -0.31990
F5   0.31160   0.48700  -0.00140
F6   0.49980   0.39290  -0.21680
F7   0.62600   0.21030  -0.06210
F8   0.56740   0.09910  -0.32460
F9   0.85660   0.32200  -0.25500
F10   0.93510   0.11120  -0.23520
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 0.02390 0.01830 0.02850 0.00460 -0.00950 0.00080
Ba1 0.01500 0.01150 0.01620 -0.00380 0.00090 -0.00010
Ba2 0.00820 0.01080 0.01510 0.00050 0.00180 0.00040
Cr1 0.00530 0.01170 0.00860 -0.00050 0.00070 0.00000
Cr2 0.00720 0.00860 0.00880 -0.00080 0.00140 0.00000
F1 0.00990 0.01800 0.01810 -0.00060 0.00030 0.00060
F2 0.01340 0.01440 0.03450 -0.00500 0.00430 -0.00110
F3 0.02170 0.01290 0.02340 0.00070 0.00600 -0.00120
F4 0.01960 0.02120 0.01660 -0.00210 -0.00610 0.00040
F5 0.01900 0.01200 0.02980 0.00130 0.00130 0.00070
F6 0.00580 0.01780 0.01860 -0.00330 0.00230 0.00060
F7 0.01110 0.01850 0.02350 -0.00480 -0.00210 0.00290
F8 0.00760 0.02350 0.01440 -0.00260 0.00470 -0.00330
F9 0.01690 0.01820 0.01330 0.00110 0.00590 0.00430
F10 0.01440 0.02210 0.01310 -0.00160 -0.00570 0.00110