data_global
_chemical_name_mineral 'Herzenbergite'
loop_
_publ_author_name
'Schnering H G'
'Wiedemeier H'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 156 
_journal_year 1981
_journal_page_first 143
_journal_page_last 150
_publ_section_title
;
 The high temperature structure of beta-SnS and beta-SnSe
 and the B16-to-B33 type gamma-transition path
 Sample: T = 905 K
;
_database_code_amcsd 0010837
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Sn S'
_cell_length_a 4.148
_cell_length_b 11.480
_cell_length_c 4.177
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 198.905
_exptl_crystal_density_diffrn      5.035
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sn   0.00000   0.12000   0.25000
S   0.00000   0.34900   0.25000