data_global
_chemical_name_mineral 'Realgar'
loop_
_publ_author_name
'Ito T'
'Morimoto N'
'Sadanaga R'
_journal_name_full 'Acta Crystallographica'
_journal_volume 5 
_journal_year 1952
_journal_page_first 775
_journal_page_last 782
_publ_section_title
;
 The crystal structure of realgar
;
_database_code_amcsd 0009149
_chemical_compound_source 'Saimoko, Japan'
_chemical_formula_sum 'As S'
_cell_length_a 9.27
_cell_length_b 13.50
_cell_length_c 6.56
_cell_angle_alpha 90
_cell_angle_beta 106.62
_cell_angle_gamma 90
_cell_volume 786.654
_exptl_crystal_density_diffrn      3.613
_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   0.11800   0.02400  -0.24100   0.01646
As2   0.42500  -0.14000  -0.14200   0.01646
As3   0.31800  -0.12700   0.18100   0.01646
As4   0.03800  -0.16100  -0.29000   0.01646
S1   0.34600   0.00800  -0.29500   0.01646
S2   0.21300   0.02400   0.12000   0.01646
S3   0.24500  -0.22500  -0.36300   0.01646
S4   0.11500  -0.21500   0.04800   0.01646