data_global
_chemical_name_mineral 'Gudmundite'
loop_
_publ_author_name
'Buerger M J'
_journal_name_full 'American Mineralogist'
_journal_volume 24
_journal_year 1939
_journal_page_first 183
_journal_page_last 184
_publ_section_title
;
 The crystal structure of gudmundite
;
_database_code_amcsd 20
_chemical_formula_sum 'Fe Sb S'
_cell_length_a 6.02
_cell_length_b 5.93
_cell_length_c 6.02
_cell_angle_alpha 90.0
_cell_angle_beta 67.87
_cell_angle_gamma 90.0
_cell_volume 199.074
_exptl_crystal_density_diffrn  6.995
_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
Fe   -0.3  0.015  0.3
Sb   0.149  0.131  0.132
S   -0.356  0.145  0.667