data_global
_chemical_name_mineral 'Realgar'
loop_
_publ_author_name
'Hejny C'
'Sagl R'
'Tobbens D M'
'Miletich R'
'Wildner M'
'Nasdala L'
'Ullrich A'
'Balic-Zunic T'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 39 
_journal_year 2012
_journal_page_first 399
_journal_page_last 412
_publ_section_title
;
 Crystal-structure properties and the molecular nature of
 hydrostatically compressed realgar
 Note: P = 5.40 GPa
;
_database_code_amcsd 0019373
_chemical_compound_source 'Baia Sprie mine, Romania'
_chemical_formula_sum 'As S'
_cell_length_a 8.719
_cell_length_b 12.634
_cell_length_c 6.149
_cell_angle_alpha 90
_cell_angle_beta 107.1
_cell_angle_gamma 90
_cell_volume 647.405
_exptl_crystal_density_diffrn      4.391
_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
As1   0.10460  -0.03065   0.75520   0.01230
As2   0.43560   0.13530   0.85400   0.01300
As3   0.32950   0.12810   0.19340   0.01100
As4   0.02710   0.16490   0.69760   0.01250
S1   0.34290  -0.01990   0.68130   0.01340
S2   0.21070  -0.03180   0.13260   0.01300
S3   0.24170   0.23150   0.61950   0.01670
S4   0.10430   0.22240   0.05850   0.01190