data_global
_chemical_name_mineral 'Arsenopyrite'
loop_
_publ_author_name
'Buerger M'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 95 
_journal_year 1936
_journal_page_first 83
_journal_page_last 113
_publ_section_title
;
 The symmetry and crystal structure of the minerals of the arsenopyrite group
;
_database_code_amcsd 0016964
_chemical_compound_source 'St Peter mine, Spindelmuhle, Bohemia'
_chemical_formula_sum 'Fe As S'
_cell_length_a 9.51
_cell_length_b 5.65
_cell_length_c 6.42
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90.0
_cell_volume 344.956
_exptl_crystal_density_diffrn      6.271
_symmetry_space_group_name_H-M 'B 1 1 21/d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '3/4-x,3/4-y,1/2+z'
  '1/4-x,3/4-y,+z'
  '3/4+x,3/4+y,1/2-z'
  '1/4+x,3/4+y,-z'
  '1/2-x,1/2-y,-z'
  '-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.00000   0.00000   0.27500
As   0.14700   0.12800   0.00000
S   0.16700   0.13200   0.50000