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 = 100 K
;
_database_code_amcsd 0004356
_chemical_compound_source 'St. Andreasberg, Hartz Mountains, Germany'
_chemical_formula_sum 'Ag4 Mn Sb2 S6'
_cell_length_a 10.3702
_cell_length_b 8.0647
_cell_length_c 6.6400
_cell_angle_alpha 90
_cell_angle_beta 92.676
_cell_angle_gamma 90
_cell_volume 554.715
_exptl_crystal_density_diffrn      5.522
_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   0.31040   0.23340   0.57288   0.01516
Ag2   0.49642   0.96855   0.76015   0.02510
Mn   0.00000   0.00000   0.50000   0.00674
Sb   0.18530   0.16043   0.03909   0.00684
S1   0.09442   0.26837   0.34485   0.00780
S2   0.51780   0.67229   0.66814   0.00780
S3   0.26500   0.41764  -0.11521   0.00800
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 0.01272 0.02214 0.01073 -0.00658 0.00194 -0.00165
Ag2 0.04640 0.01153 0.01732 -0.01374 0.00128 -0.00302
Mn 0.00660 0.00710 0.00640 0.00020 -0.00030 0.00040
Sb 0.00748 0.00654 0.00644 0.00079 -0.00021 0.00031
S1 0.00960 0.00670 0.00690 -0.00010 0.00010 0.00020
S2 0.00810 0.00870 0.00650 0.00070 -0.00040 0.00060
S3 0.00800 0.00700 0.00900 -0.00150 -0.00010 0.00050