data_global
_chemical_name_mineral 'Orpiment'
loop_
_publ_author_name
'Morimoto N'
_journal_name_full 'Mineralogical Journal'
_journal_volume 1 
_journal_year 1954
_journal_page_first 160
_journal_page_last 169
_publ_section_title
;
 The crystal structure of orpiment (As2S3) refined
;
_database_code_amcsd 0014411
_chemical_compound_source 'Saimoku, Japan'
_chemical_formula_sum 'As2 S3'
_cell_length_a 11.46
_cell_length_b 9.57
_cell_length_c 4.22
_cell_angle_alpha 90
_cell_angle_beta 90.5
_cell_angle_gamma 90
_cell_volume 462.799
_exptl_crystal_density_diffrn      3.531
_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
As1   0.26700   0.19000   0.14300
As2   0.48400   0.32300   0.64300
S1   0.39500   0.12000   0.50000
S2   0.35500   0.39700   0.01300
S3   0.12500   0.29300   0.41000