data_global
_chemical_name_mineral 'Pararealgar'
loop_
_publ_author_name
'Bonazzi P'
'Menchetti S'
'Pratesi G'
_journal_name_full 'American Mineralogist'
_journal_volume 80 
_journal_year 1995
_journal_page_first 400
_journal_page_last 403
_publ_section_title
;
 The crystal structure of pararealgar
;
_database_code_amcsd 0001734
_chemical_formula_sum 'As S'
_cell_length_a 9.909
_cell_length_b 9.655
_cell_length_c 8.502
_cell_angle_alpha 90
_cell_angle_beta 97.29
_cell_angle_gamma 90
_cell_volume 806.823
_exptl_crystal_density_diffrn      3.523
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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   0.31870   0.63550   0.04320   0.03800
As2   0.08190   0.54270   0.32520   0.03500
As3   0.36980   0.36070   0.34310   0.05000
As4   0.14550   0.34390   0.16430   0.04100
S1   0.16450   0.71870   0.19230   0.04000
S2   0.25370   0.47820   0.50990   0.04600
S3   0.47030   0.52760   0.21920   0.05200
S4   0.19640   0.44830  -0.04920   0.04200