data_global
_chemical_name_mineral 'Stibnite'
loop_
_publ_author_name
'Kyono A'
'Kimata M'
'Matsuhisa M'
'Miyashita Y'
'Okamoto K'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 29 
_journal_year 2002
_journal_page_first 254
_journal_page_last 260
_publ_section_title
;
 Low-temperature crystal structures of stibnite implying orbital
 overlap of Sb 5s2 inert pair electrons
 Sample: T = 173 K
;
_database_code_amcsd 0008634
_chemical_formula_sum 'Sb2 S3'
_cell_length_a 11.299
_cell_length_b 3.828
_cell_length_c 11.214
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 485.034
_exptl_crystal_density_diffrn      4.652
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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
Sb1   0.47064   0.25000   0.32581   0.00918
Sb2   0.35058   0.75000   0.03553   0.01198
S1   0.29230   0.25000   0.19160   0.00963
S2   0.54970   0.75000   0.12280   0.00937
S3   0.37480   0.75000   0.43880   0.00937