data_global
_chemical_name_mineral 'Marcasite'
loop_
_publ_author_name
'Buerger M'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 97 
_journal_year 1937
_journal_page_first 504
_journal_page_last 513
_publ_section_title
;
 Interatomic Distances in Marcasite and Notes on the Bonding in Crystals
 of Loellingite, Arsenopyrite, and Marcasite Types.
 _cod_database_code 1011013
;
_database_code_amcsd 0017921
_chemical_formula_sum 'Fe S2'
_cell_length_a 4.436
_cell_length_b 5.414
_cell_length_c 3.381
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 81.200
_exptl_crystal_density_diffrn      4.907
_symmetry_space_group_name_H-M 'P n n m'
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'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.00000   0.00000   0.00000
S1   0.20000   0.37800   0.00000