data_global
_chemical_name_mineral 'Samsonite'
loop_
_publ_author_name
'Edenharter A'
'Nowacki W'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 140 
_journal_year 1974
_journal_page_first 87
_journal_page_last 99
_publ_section_title
;
 Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn
;
_database_code_amcsd 0010764
_chemical_compound_source 'Andreasberg, Harz, Germany'
_chemical_formula_sum 'Mn Sb2 Ag4 S6'
_cell_length_a 10.362
_cell_length_b 8.101
_cell_length_c 6.647
_cell_angle_alpha 90
_cell_angle_beta 92.63
_cell_angle_gamma 90
_cell_volume 557.378
_exptl_crystal_density_diffrn      5.495
_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
Mn   0.00000   0.00000   0.50000
Sb   0.18420   0.16426   0.03853
Ag1   0.30762   0.24550   0.57240
Ag2   0.49660   0.96910   0.76060
S1   0.09190   0.26890   0.34320
S2   0.98230   0.17370   0.83110
S3   0.76430   0.07930   0.38820
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
Mn 0.01846 0.01795 0.02725 0.00127 0.00331 0.00123
Sb 0.01357 0.01197 0.02345 0.00255 0.00174 0.00055
Ag1 0.02823 0.06350 0.03797 -0.01890 0.00801 -0.00559
Ag2 0.10639 0.02892 0.05115 -0.03526 0.00696 -0.01049
S1 0.01900 0.01297 0.02457 0.00042 0.00209 0.00136
S2 0.01466 0.01696 0.02234 0.00042 0.00104 -0.00150
S3 0.01248 0.01496 0.03417 0.00297 0.00104 -0.00327