data_global
_chemical_name_mineral 'Samsonite'
loop_
_publ_author_name
'Bindi L'
'Evain M'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 886
_journal_page_last 891
_publ_section_title
;
 Gram-Charlier development of the atomic displacement factors into mineral
 structures: The case of samsonite, Ag4MnSb2S6
 Sample: T = 400 K, refined using Gram-Charlier displacement factors
;
_database_code_amcsd 0004360
_chemical_compound_source 'St. Andreasberg, Hartz Mountains, Germany'
_chemical_formula_sum 'Ag4 Mn Sb2 S6'
_cell_length_a 10.3838
_cell_length_b 8.1364
_cell_length_c 6.6737
_cell_angle_alpha 90
_cell_angle_beta 92.640
_cell_angle_gamma 90
_cell_volume 563.241
_exptl_crystal_density_diffrn      5.438
_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
_atom_site_U_iso_or_equiv
Ag1   0.30550   0.25070   0.57230   0.05970
Ag2   0.50010   0.96470   0.76220   0.08220
Mn   0.00000   0.00000   0.50000   0.02200
Sb   0.18327   0.16638   0.03790   0.02142
S1   0.09021   0.26934   0.34277   0.02220
S2   0.51847   0.67407   0.67019   0.02140
S3   0.26330   0.42261  -0.10990   0.02410
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
Ag1 0.04250 0.09820 0.03920 -0.02630 0.01010 -0.01060
Ag2 0.14040 0.04140 0.06470 -0.04550 0.00510 -0.01420
Mn 0.02080 0.02390 0.02140 0.00000 0.00060 0.00020
Sb 0.02068 0.02229 0.02127 0.00301 0.00091 0.00066
S1 0.02640 0.02110 0.01920 0.00120 0.00260 0.00210
S2 0.02090 0.02410 0.01900 0.00130 0.00050 0.00250
S3 0.02090 0.02250 0.02880 -0.00400 -0.00040 0.00190